 Entering Gaussian System, Link 0=g16
 Input=36a_RhEn3-lel3_STD_wB97XD-augccpVDZr.in
 Output=36a_RhEn3-lel3_STD_wB97XD-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  6.554800D-02          -9.011202D-03
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            P    16   1.00
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            ****
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                  1.934190D+01          -1.082310D-01
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            ****
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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            P    16   1.00
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            P    16   1.00
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                  6.995600D-01           2.716570D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
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                  6.995600D-01          -5.388760D-01
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            F    1   1.00
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            ****
            -Ga     0
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                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  1.750446D+00           2.713900D-03
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
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                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
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                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
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                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
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                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
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                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
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                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
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                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
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                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
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            -I     0
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            -Xe     0
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                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/36a_RhEn3-lel3_STD/Gau-3899.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/wB97XD_augccpVDZ/36a_RhEn3-lel3_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      3901.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 9-Jul-2021 
 ******************************************
 %NoSave
 %nproc=16
 Will use up to   16 processors via shared memory.
 %mem=80GB
 %chk=36a_RhEn3-lel3_STD_wB97XD-augccpVDZr
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq Pseudo=Read
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul  9 00:27:35 2021, MaxMem= 10737418240 cpu:               1.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "36a_RhEn3-lel3_STD_wB97XD-augccpVDZr.chk"
 Charge =  3 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.478199000000     -2.838320000000      0.749399000000
  C                                                -0.645629000000     -2.804461000000     -0.750307000000
  N                                                -1.078681000000     -1.418399000000     -1.150041000000
  Rh                                                0.000089000000      0.000061000000      0.000067000000
  N                                                 0.452614000000     -1.723960000000      1.149911000000
  N                                                 1.266579000000      1.253203000000      1.150361000000
  C                                                 2.697130000000      1.004980000000      0.749740000000
  C                                                 2.751749000000      0.843414000000     -0.749999000000
  N                                                 1.767955000000     -0.224596000000     -1.150132000000
  N                                                -0.689162000000      1.644142000000     -1.149359000000
  C                                                -2.106386000000      1.961118000000     -0.750083000000
  C                                                -2.219517000000      1.832701000000      0.749582000000
  N                                                -1.719027000000      0.469782000000      1.150195000000
  H                                                 3.756021000000      0.579430000000     -1.083089000000
  H                                                 2.470270000000      1.765046000000     -1.260306000000
  H                                                 3.333144000000      1.825874000000      1.082628000000
  H                                                 3.035123000000      0.102500000000      1.259954000000
  H                                                -2.380317000000      2.962746000000     -1.083117000000
  H                                                -2.763117000000      1.256285000000     -1.260915000000
  H                                                -3.248557000000      1.972847000000      1.082181000000
  H                                                -1.607166000000      2.576710000000      1.260000000000
  H                                                -1.376439000000     -3.542110000000     -1.083457000000
  H                                                 0.293217000000     -3.021476000000     -1.260748000000
  H                                                -0.085550000000     -3.799768000000      1.082032000000
  H                                                -1.428624000000     -2.679610000000      1.259901000000
  H                                                 1.413300000000     -2.037405000000      1.012360000000
  H                                                 0.376507000000     -1.580276000000      2.156655000000
  H                                                -2.086004000000     -1.339860000000     -1.011556000000
  H                                                -0.954028000000     -1.314487000000     -2.156803000000
  H                                                -2.470374000000     -0.206011000000      1.012941000000
  H                                                -1.556269000000      0.464260000000      2.156877000000
  H                                                -0.118063000000      2.477516000000     -1.010037000000
  H                                                -0.660849000000      1.484860000000     -2.156217000000
  H                                                 1.057396000000      2.241932000000      1.013461000000
  H                                                 1.180208000000      1.114623000000      2.156980000000
  H                                                 2.203896000000     -1.136230000000     -1.012433000000
  H                                                 1.615436000000     -0.167935000000     -2.156845000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     37 NQM=       37 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          14         103          14          14          12          12          14          14
 AtmWgt=  12.0000000  12.0000000  14.0030740 102.9048000  14.0030740  14.0030740  12.0000000  12.0000000  14.0030740  14.0030740
 NucSpn=           0           0           2           1           2           2           0           0           2           2
 AtZEff=   3.6000000   3.6000000   4.5500000 229.5000000   4.5500000   4.5500000   3.6000000   3.6000000   4.5500000   4.5500000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   2.0440000   2.0440000   0.0000000   0.0000000   2.0440000   2.0440000
 NMagM=    0.0000000   0.0000000   0.4037610  -0.0884000   0.4037610   0.4037610   0.0000000   0.0000000   0.4037610   0.4037610
 AtZNuc=   6.0000000   6.0000000   7.0000000  45.0000000   7.0000000   7.0000000   6.0000000   6.0000000   7.0000000   7.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          14           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  14.0030740   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           2           1           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   4.5500000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.4037610   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   7.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul  9 00:27:36 2021, MaxMem= 10737418240 cpu:               3.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.478199   -2.838320    0.749399
      2          6           0       -0.645629   -2.804461   -0.750307
      3          7           0       -1.078681   -1.418399   -1.150041
      4         45           0        0.000089    0.000061    0.000067
      5          7           0        0.452614   -1.723960    1.149911
      6          7           0        1.266579    1.253203    1.150361
      7          6           0        2.697130    1.004980    0.749740
      8          6           0        2.751749    0.843414   -0.749999
      9          7           0        1.767955   -0.224596   -1.150132
     10          7           0       -0.689162    1.644142   -1.149359
     11          6           0       -2.106386    1.961118   -0.750083
     12          6           0       -2.219517    1.832701    0.749582
     13          7           0       -1.719027    0.469782    1.150195
     14          1           0        3.756021    0.579430   -1.083089
     15          1           0        2.470270    1.765046   -1.260306
     16          1           0        3.333144    1.825874    1.082628
     17          1           0        3.035123    0.102500    1.259954
     18          1           0       -2.380317    2.962746   -1.083117
     19          1           0       -2.763117    1.256285   -1.260915
     20          1           0       -3.248557    1.972847    1.082181
     21          1           0       -1.607166    2.576710    1.260000
     22          1           0       -1.376439   -3.542110   -1.083457
     23          1           0        0.293217   -3.021476   -1.260748
     24          1           0       -0.085550   -3.799768    1.082032
     25          1           0       -1.428624   -2.679610    1.259901
     26          1           0        1.413300   -2.037405    1.012360
     27          1           0        0.376507   -1.580276    2.156655
     28          1           0       -2.086004   -1.339860   -1.011556
     29          1           0       -0.954028   -1.314487   -2.156803
     30          1           0       -2.470374   -0.206011    1.012941
     31          1           0       -1.556269    0.464260    2.156877
     32          1           0       -0.118063    2.477516   -1.010037
     33          1           0       -0.660849    1.484860   -2.156217
     34          1           0        1.057396    2.241932    1.013461
     35          1           0        1.180208    1.114623    2.156980
     36          1           0        2.203896   -1.136230   -1.012433
     37          1           0        1.615436   -0.167935   -2.156845
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.509403   0.000000
     3  N    2.446350   1.506150   0.000000
     4  Rh   2.974334   2.974114   2.120972   0.000000
     5  N    1.506194   2.446313   2.779930   2.121124   0.000000
     6  N    4.466048   4.871726   4.234330   2.120740   3.086428
     7  C    4.985345   5.285454   4.872236   2.974206   3.555995
     8  C    5.122101   4.984894   4.466321   2.974135   3.935364
     9  N    3.935096   3.555412   3.086827   2.121032   3.044407
    10  N    4.872602   4.466677   3.087213   2.121143   4.234903
    11  C    5.285267   4.984431   3.554895   2.974173   4.872192
    12  C    4.985040   5.121529   3.934428   2.974390   4.466585
    13  N    3.555816   3.935068   3.044069   2.121036   3.086831
    14  H    5.741746   5.562013   5.231649   3.951698   4.604823
    15  H    5.824377   5.554216   4.768808   3.287173   4.696088
    16  H    6.032585   6.374189   5.913909   3.951555   4.572013
    17  H    4.610046   5.102892   5.004457   3.287741   3.165031
    18  H    6.374052   6.031632   4.570904   3.951851   5.914146
    19  H    5.101765   4.608051   3.162839   3.286865   5.003486
    20  H    5.561740   5.740725   4.603447   3.951779   5.231600
    21  H    5.554982   5.824336   4.695582   3.287829   4.769756
    22  H    2.159055   1.090504   2.145517   3.951687   3.411603
    23  H    2.160861   1.090448   2.112869   3.287136   2.742304
    24  H    1.090505   2.159118   3.411653   3.951795   2.145509
    25  H    1.090463   2.160927   2.742432   3.287710   2.112918
    26  H    2.070841   2.816835   3.356950   2.678277   1.019846
    27  H    2.072092   3.315693   3.616354   2.700005   1.019790
    28  H    2.816271   2.070746   1.019827   2.677789   3.356196
    29  H    3.315794   2.072043   1.019758   2.700086   3.616721
    30  H    3.311686   3.631898   2.843446   2.677978   3.296481
    31  H    3.748368   4.468279   3.835127   2.699919   3.136542
    32  H    5.611009   5.314609   4.015039   2.678069   4.758513
    33  H    5.212087   4.513877   3.100949   2.700190   4.739916
    34  H    5.313825   5.610459   4.758318   2.677844   4.014060
    35  H    4.511913   5.210107   4.738688   2.699482   3.098570
    36  H    3.632464   3.312325   3.297555   2.678260   2.843967
    37  H    4.467720   3.747270   3.136173   2.699970   3.835102
                    6          7          8          9         10
     6  N    0.000000
     7  C    1.506183   0.000000
     8  C    2.446431   1.509405   0.000000
     9  N    2.779845   2.446372   1.506188   0.000000
    10  N    3.044087   3.934727   3.555351   3.087006   0.000000
    11  C    3.935699   5.122249   4.985051   4.466308   1.506127
    12  C    3.556586   4.985834   5.285917   4.872506   2.446123
    13  N    3.086680   4.466458   4.872184   4.234703   2.779873
    14  H    3.411684   2.159075   1.090504   2.145544   4.571395
    15  H    2.742658   2.160891   1.090435   2.112832   3.163690
    16  H    2.145514   1.090502   2.159113   3.411665   4.603666
    17  H    2.112789   1.090425   2.160825   2.742484   4.695929
    18  H    4.605520   5.742184   5.562431   5.231807   2.145486
    19  H    4.696031   5.824104   5.553850   4.768217   2.112858
    20  H    4.572635   6.033115   6.374651   5.914167   3.411498
    21  H    3.165770   4.610603   5.103386   5.004747   2.741792
    22  H    5.913587   6.374214   6.032077   4.571385   5.232008
    23  H    5.003375   5.102275   4.608972   3.163799   4.769221
    24  H    5.231198   5.562313   5.741580   4.604334   5.914356
    25  H    4.768976   5.555026   5.824681   4.696112   5.004615
    26  H    3.296767   3.312596   3.632695   2.844016   4.758904
    27  H    3.135835   3.748099   4.468186   3.835210   4.739436
    28  H    4.757906   5.610598   5.314033   4.014476   3.297639
    29  H    4.739352   5.211418   4.513138   3.100071   3.136652
    30  H    4.014101   5.314026   5.610688   4.758431   3.357279
    31  H    3.099028   4.512628   5.210826   4.739335   3.615964
    32  H    2.843149   3.631871   3.312662   3.298196   1.019842
    33  H    3.834332   4.466642   3.746295   3.135847   1.019772
    34  H    1.019845   2.070828   2.817175   3.357051   2.843520
    35  H    1.019778   2.072052   3.315693   3.616067   3.834946
    36  H    3.356431   2.816614   2.070750   1.019844   4.014848
    37  H    3.616483   3.315724   2.072016   1.019776   3.099971
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.509399   0.000000
    13  N    2.446464   1.506164   0.000000
    14  H    6.032228   6.374671   5.914028   0.000000
    15  H    4.609181   5.102777   5.003842   1.757910   0.000000
    16  H    5.741568   5.562644   5.231442   2.534320   2.497517
    17  H    5.824931   5.555656   4.769579   2.497400   3.071617
    18  H    1.090508   2.159084   3.411723   6.582920   4.999408
    19  H    1.090429   2.160985   2.742656   6.556593   5.258058
    20  H    2.159140   1.090498   2.145528   7.462849   6.183479
    21  H    2.160696   1.090436   2.112751   6.184090   4.861710
    22  H    5.561428   5.741028   4.604546   6.582495   6.557008
    23  H    5.553838   5.823941   4.695812   4.998910   5.258360
    24  H    6.374028   6.032333   4.571865   6.214724   6.556365
    25  H    5.102524   4.609435   3.164655   6.556789   6.427113
    26  H    5.610934   5.314521   4.014531   4.089875   4.554210
    27  H    5.211080   4.513049   3.099510   5.155714   5.220215
    28  H    3.311380   3.631057   2.842999   6.149638   5.519235
    29  H    3.746515   4.466915   3.834720   5.188867   4.691806
    30  H    2.817302   2.070902   1.019832   6.616514   5.784694
    31  H    3.315664   2.071958   1.019769   6.223429   5.438952
    32  H    2.070669   2.815698   3.355694   4.314695   2.696241
    33  H    2.072103   3.315736   3.616972   4.634668   3.268802
    34  H    3.632969   3.312893   3.296625   3.800265   2.719127
    35  H    4.468699   3.748938   3.136080   4.173642   3.710142
    36  H    5.314219   5.611224   4.758735   2.314643   2.924004
    37  H    4.512627   5.211212   4.739392   2.508707   2.295853
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.757919   0.000000
    18  H    6.215027   6.557284   0.000000
    19  H    6.555991   6.426942   1.757884   0.000000
    20  H    6.583342   6.558539   2.534217   2.497841   0.000000
    21  H    5.000188   5.260472   2.497395   3.071605   1.757963
    22  H    7.462396   6.183578   6.581863   4.997896   6.213660
    23  H    6.182990   4.861195   6.556695   5.257415   6.555665
    24  H    6.582957   4.999795   7.462267   6.182430   6.582378
    25  H    6.557839   5.259769   6.183173   4.860726   4.998910
    26  H    4.314587   2.696443   6.616953   5.784344   6.149789
    27  H    4.636496   3.271704   6.223765   5.439035   5.188474
    28  H    6.616241   5.784989   4.313254   2.694556   4.087700
    29  H    6.223795   5.440166   4.634849   3.268683   5.153877
    30  H    6.149328   5.519664   3.800341   2.719270   2.314689
    31  H    5.187905   4.692145   4.173613   3.710133   2.508913
    32  H    4.088363   4.553695   2.314861   2.924150   3.798955
    33  H    5.153483   5.219325   2.508438   2.296376   4.173917
    34  H    2.314502   2.923924   4.090609   4.554186   4.314900
    35  H    2.509032   2.295595   5.156658   5.220334   4.637424
    36  H    3.799808   2.718296   6.149928   5.518794   6.616873
    37  H    4.173725   3.709874   5.188458   4.690716   6.223557
                   21         22         23         24         25
    21  H    0.000000
    22  H    6.556293   0.000000
    23  H    6.426921   1.757909   0.000000
    24  H    6.557931   2.534191   2.497563   0.000000
    25  H    5.259351   2.497590   3.071690   1.757908   0.000000
    26  H    5.520380   3.799899   2.718456   2.314590   2.924079
    27  H    4.692492   4.173720   3.709803   2.508875   2.295910
    28  H    4.552886   2.314856   2.924145   3.799483   2.717829
    29  H    5.219439   2.508547   2.296159   4.173839   3.709807
    30  H    2.923987   4.089148   4.553454   4.313612   2.695352
    31  H    2.295523   5.155881   5.220260   4.636835   3.271816
    32  H    2.716677   6.150187   5.520047   6.616805   5.784992
    33  H    3.709204   5.189731   4.692459   6.224510   5.440786
    34  H    2.696803   6.616325   5.784415   6.149241   5.519294
    35  H    3.272877   6.222703   5.438284   5.187378   4.691158
    36  H    5.785678   4.314175   2.695646   4.089350   4.554199
    37  H    5.439951   4.635573   3.270160   5.154987   5.220054
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.610378   0.000000
    28  H    4.102186   4.019866   0.000000
    29  H    4.021249   4.521823   1.610467   0.000000
    30  H    4.293824   3.361758   2.352008   3.684468   0.000000
    31  H    4.048035   2.813494   3.684350   4.704728   1.610416
    32  H    5.178771   5.170901   4.294782   4.048851   4.102088
    33  H    5.171878   5.391849   3.364574   2.814658   4.022063
    34  H    4.294112   4.047194   5.177923   5.171510   4.293901
    35  H    3.361513   2.812191   5.170324   5.391128   4.047178
    36  H    2.353071   3.685057   4.294730   3.363606   5.178441
    37  H    3.685056   4.704884   4.047932   2.813668   5.171348
                   31         32         33         34         35
    31  H    0.000000
    32  H    4.018828   0.000000
    33  H    4.521745   1.610500   0.000000
    34  H    3.361363   2.351967   3.684071   0.000000
    35  H    2.812699   3.684153   4.704278   1.610448   0.000000
    36  H    5.171551   4.295423   4.047854   4.102522   4.019882
    37  H    5.391436   3.364312   2.813042   4.021158   4.521445
                   36         37
    36  H    0.000000
    37  H    1.610453   0.000000
 Stoichiometry    C6H24N6Rh(3+)
 Framework group  C1[X(C6H24N6Rh)]
 Deg. of freedom   105
 Full point group                 C1      NOp   1
 RotChk:  IX=3 Diff= 1.97D-12
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.477057   -2.838512    0.749399
      2          6           0       -0.644501   -2.804721   -0.750307
      3          7           0       -1.078110   -1.418833   -1.150041
      4         45           0        0.000089    0.000061    0.000067
      5          7           0        0.453307   -1.723778    1.149911
      6          7           0        1.266075    1.253712    1.150361
      7          6           0        2.696725    1.006065    0.749740
      8          6           0        2.751409    0.844521   -0.749999
      9          7           0        1.768045   -0.223885   -1.150132
     10          7           0       -0.689823    1.643865   -1.149359
     11          6           0       -2.107175    1.960270   -0.750083
     12          6           0       -2.220254    1.831808    0.749582
     13          7           0       -1.719216    0.469090    1.150195
     14          1           0        3.755788    0.580941   -1.083089
     15          1           0        2.469560    1.766040   -1.260306
     16          1           0        3.332409    1.827215    1.082628
     17          1           0        3.035082    0.103721    1.259954
     18          1           0       -2.381509    2.961788   -1.083117
     19          1           0       -2.763622    1.255173   -1.260915
     20          1           0       -3.249350    1.971540    1.082181
     21          1           0       -1.608202    2.576063    1.260000
     22          1           0       -1.375014   -3.542663   -1.083457
     23          1           0        0.294432   -3.021358   -1.260748
     24          1           0       -0.084021   -3.799802    1.082032
     25          1           0       -1.427546   -2.680185    1.259901
     26          1           0        1.414120   -2.036836    1.012360
     27          1           0        0.377143   -1.580124    2.156655
     28          1           0       -2.085465   -1.340699   -1.011556
     29          1           0       -0.953499   -1.314871   -2.156803
     30          1           0       -2.470291   -0.207005    1.012941
     31          1           0       -1.556456    0.463634    2.156877
     32          1           0       -0.119060    2.477468   -1.010037
     33          1           0       -0.661446    1.484594   -2.156217
     34          1           0        1.056494    2.242357    1.013461
     35          1           0        1.179760    1.115098    2.156980
     36          1           0        2.204353   -1.135343   -1.012433
     37          1           0        1.615503   -0.167285   -2.156845
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.6901150           0.6900165           0.4769981
 Leave Link  202 at Fri Jul  9 00:27:36 2021, MaxMem= 10737418240 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     21     22     23
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      7      8     11     12
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3      5      6      9     10     13
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients=  6.9200000000D-04
     Exponent=  2.1997400000D+01 Coefficients= -3.8393000000D-02
     Exponent=  1.3761600000D+01 Coefficients=  1.7601900000D-01
     Exponent=  5.0872000000D+00 Coefficients= -6.2992500000D-01
     Exponent=  1.2294000000D+00 Coefficients=  8.4954400000D-01
     Exponent=  5.5681400000D-01 Coefficients=  4.4572900000D-01
     Exponent=  1.1406700000D-01 Coefficients=  1.8204000000D-02
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients= -1.7800000000D-04
     Exponent=  2.1997400000D+01 Coefficients=  9.4560000000D-03
     Exponent=  1.3761600000D+01 Coefficients= -4.9472000000D-02
     Exponent=  5.0872000000D+00 Coefficients=  2.0186700000D-01
     Exponent=  1.2294000000D+00 Coefficients= -3.6980900000D-01
     Exponent=  5.5681400000D-01 Coefficients= -2.6533100000D-01
     Exponent=  1.1406700000D-01 Coefficients=  5.8915400000D-01
 S 7 1.00
     Exponent=  1.8466600000D+02 Coefficients=  8.3700000000D-04
     Exponent=  2.1997400000D+01 Coefficients= -4.0286000000D-02
     Exponent=  1.3761600000D+01 Coefficients=  1.5064900000D-01
     Exponent=  5.0872000000D+00 Coefficients= -5.2685100000D-01
     Exponent=  1.2294000000D+00 Coefficients=  1.5723820000D+00
     Exponent=  5.5681400000D-01 Coefficients= -8.8764300000D-01
     Exponent=  1.1406700000D-01 Coefficients= -1.4709450000D+00
 S 1 1.00
     Exponent=  4.1415000000D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.5000000000D-02 Coefficients=  1.0000000000D+00
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients=  3.1821000000D-02
     Exponent=  6.6247600000D+00 Coefficients= -1.9302800000D-01
     Exponent=  1.6961300000D+00 Coefficients=  5.0624200000D-01
     Exponent=  7.9735100000D-01 Coefficients=  4.9490200000D-01
     Exponent=  3.5203400000D-01 Coefficients=  1.4403000000D-01
     Exponent=  1.2334200000D-01 Coefficients=  5.6080000000D-03
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients= -8.5830000000D-03
     Exponent=  6.6247600000D+00 Coefficients=  5.6811000000D-02
     Exponent=  1.6961300000D+00 Coefficients= -1.8017200000D-01
     Exponent=  7.9735100000D-01 Coefficients= -2.0341100000D-01
     Exponent=  3.5203400000D-01 Coefficients=  8.4818000000D-02
     Exponent=  1.2334200000D-01 Coefficients=  6.0105700000D-01
 P 6 1.00
     Exponent=  1.3698500000D+01 Coefficients= -1.5164000000D-02
     Exponent=  6.6247600000D+00 Coefficients=  1.0112500000D-01
     Exponent=  1.6961300000D+00 Coefficients= -3.4564100000D-01
     Exponent=  7.9735100000D-01 Coefficients= -3.4548500000D-01
     Exponent=  3.5203400000D-01 Coefficients=  4.2210200000D-01
     Exponent=  1.2334200000D-01 Coefficients=  7.3047900000D-01
 P 1 1.00
     Exponent=  4.3130000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.5100000000D-02 Coefficients=  1.0000000000D+00
 D 5 1.00
     Exponent=  1.8737000000D+01 Coefficients=  6.4810000000D-03
     Exponent=  1.1704600000D+01 Coefficients= -1.3942000000D-02
     Exponent=  2.2555800000D+00 Coefficients=  2.5068200000D-01
     Exponent=  9.4941100000D-01 Coefficients=  4.5111100000D-01
     Exponent=  3.6616400000D-01 Coefficients=  3.8399900000D-01
 D 5 1.00
     Exponent=  1.8737000000D+01 Coefficients= -7.5900000000D-03
     Exponent=  1.1704600000D+01 Coefficients=  1.6294000000D-02
     Exponent=  2.2555800000D+00 Coefficients= -3.3477300000D-01
     Exponent=  9.4941100000D-01 Coefficients= -4.4639600000D-01
     Exponent=  3.6616400000D-01 Coefficients=  3.2996700000D-01
 D 1 1.00
     Exponent=  1.2397700000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.2000000000D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  9.9360000000D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  3.2220000000D-01 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          7
                                   No pseudopotential on this center.
    4         45           17
                                      G and up 
                                                     2        1.0000000        0.00000000    0.00000000
                                      S - G
                                                     2       12.1948160      225.31205400    0.00000000
                                                     2        5.4051370       32.44158200    0.00000000
                                      P - G
                                                     2       11.2807550       52.87282600    0.00000000
                                                     2       10.9272480      105.74552600    0.00000000
                                                     2        5.0901170        8.61934400    0.00000000
                                                     2        4.8518320       16.97345900    0.00000000
                                      D - G
                                                     2        9.1363370       25.10850100    0.00000000
                                                     2        8.9648080       37.69573100    0.00000000
                                                     2        3.6436120        4.20258400    0.00000000
                                                     2        3.6360070        6.29279000    0.00000000
                                      F - G
                                                     2        8.6162280       -9.67356800    0.00000000
                                                     2        8.6294350      -12.89984700    0.00000000
    5          7
                                   No pseudopotential on this center.
    6          7
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          6
                                   No pseudopotential on this center.
    9          7
                                   No pseudopotential on this center.
   10          7
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          7
                                   No pseudopotential on this center.
   14          1
                                   No pseudopotential on this center.
   15          1
                                   No pseudopotential on this center.
   16          1
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          1
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          1
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  50 primitive shells out of 585 were deleted.
 There are   580 symmetry adapted cartesian basis functions of A   symmetry.
 There are   546 symmetry adapted basis functions of A   symmetry.
   546 basis functions,   991 primitive gaussians,   580 cartesian basis functions
    58 alpha electrons       58 beta electrons
       nuclear repulsion energy      1198.1851107110 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   37 NActive=   37 NUniq=   37 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0393829302 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1198.1457277808 Hartrees.
 Leave Link  301 at Fri Jul  9 00:27:39 2021, MaxMem= 10737418240 cpu:              41.2 elap:               2.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29888 LenP2D=  115189.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 NBasis=   546 RedAO= T EigKep=  1.12D-06  NBF=   546
 NBsUse=   546 1.00D-06 EigRej= -1.00D+00 NBFU=   546
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  45.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   580   580   580   580   580 MxSgAt=    37 MxSgA2=    37.
 Leave Link  302 at Fri Jul  9 00:27:41 2021, MaxMem= 10737418240 cpu:              30.5 elap:               2.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul  9 00:27:42 2021, MaxMem= 10737418240 cpu:               3.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "36a_RhEn3-lel3_STD_wB97XD-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul  9 00:27:44 2021, MaxMem= 10737418240 cpu:              23.7 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 10737418240 LenX= 10736730423 LenY= 10736393443
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 E= -680.883544177000    
 DIIS: error= 5.13D-02 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -680.883544177000     IErMin= 1 ErrMin= 5.13D-02
 ErrMax= 5.13D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.76D-02 BMatP= 8.76D-02
 IDIUse=3 WtCom= 4.87D-01 WtEn= 5.13D-01
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.386 Goal=   None    Shift=    0.000
 GapD=    0.386 DampG=1.000 DampE=0.250 DampFc=0.2500 IDamp=-1.
 Damping current iteration by 2.50D-01
 RMSDP=2.90D-02 MaxDP=1.06D+01              OVMax= 2.01D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  5.42D-03    CP:  1.19D+00
 E= -680.886959850548     Delta-E=       -0.003415673548 Rises=F Damp=T
 DIIS: error= 3.87D-02 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -680.886959850548     IErMin= 2 ErrMin= 3.87D-02
 ErrMax= 3.87D-02  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.98D-02 BMatP= 8.76D-02
 IDIUse=3 WtCom= 6.13D-01 WtEn= 3.87D-01
 Coeff-Com: -0.297D+01 0.397D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.182D+01 0.282D+01
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=2.65D-02 MaxDP=9.85D+00 DE=-3.42D-03 OVMax= 9.38D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  9.09D-03    CP:  1.87D+00  3.00D+00
 E= -680.897289861759     Delta-E=       -0.010330011210 Rises=F Damp=F
 DIIS: error= 1.98D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -680.897289861759     IErMin= 3 ErrMin= 1.98D-03
 ErrMax= 1.98D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.12D-03 BMatP= 4.98D-02
 IDIUse=3 WtCom= 9.80D-01 WtEn= 1.98D-02
 Coeff-Com: -0.137D+01 0.181D+01 0.559D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.134D+01 0.178D+01 0.567D+00
 Gap=     0.391 Goal=   None    Shift=    0.000
 RMSDP=5.91D-04 MaxDP=1.55D-01 DE=-1.03D-02 OVMax= 8.49D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  3.39D-04    CP:  1.89D+00  3.00D+00  1.04D+00
 E= -680.898082670828     Delta-E=       -0.000792809069 Rises=F Damp=F
 DIIS: error= 2.67D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -680.898082670828     IErMin= 4 ErrMin= 2.67D-04
 ErrMax= 2.67D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.25D-05 BMatP= 1.12D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 2.67D-03
 Coeff-Com: -0.105D-01 0.115D-01 0.184D+00 0.815D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.105D-01 0.114D-01 0.184D+00 0.815D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=5.99D-04 MaxDP=2.33D-01 DE=-7.93D-04 OVMax= 1.33D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.01D-04    CP:  1.90D+00  3.00D+00  1.09D+00  7.31D-01
 E= -680.898129567093     Delta-E=       -0.000046896265 Rises=F Damp=F
 DIIS: error= 4.63D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -680.898129567093     IErMin= 5 ErrMin= 4.63D-05
 ErrMax= 4.63D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.91D-06 BMatP= 6.25D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.159D+00-0.211D+00-0.547D-02 0.208D+00 0.849D+00
 Coeff:      0.159D+00-0.211D+00-0.547D-02 0.208D+00 0.849D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.55D-04 MaxDP=6.10D-02 DE=-4.69D-05 OVMax= 4.26D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.97D-05    CP:  1.90D+00  3.00D+00  1.10D+00  6.66D-01  1.23D+00
 E= -680.898132014370     Delta-E=       -0.000002447277 Rises=F Damp=F
 DIIS: error= 1.55D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -680.898132014370     IErMin= 6 ErrMin= 1.55D-05
 ErrMax= 1.55D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.84D-07 BMatP= 1.91D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.535D-01-0.709D-01-0.147D-01 0.802D-02 0.328D+00 0.696D+00
 Coeff:      0.535D-01-0.709D-01-0.147D-01 0.802D-02 0.328D+00 0.696D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=9.36D-06 MaxDP=3.08D-03 DE=-2.45D-06 OVMax= 1.60D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.78D-06    CP:  1.90D+00  3.00D+00  1.10D+00  6.66D-01  1.26D+00
                    CP:  9.14D-01
 E= -680.898132330601     Delta-E=       -0.000000316231 Rises=F Damp=F
 DIIS: error= 4.82D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -680.898132330601     IErMin= 7 ErrMin= 4.82D-06
 ErrMax= 4.82D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.84D-08 BMatP= 2.84D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.129D-01 0.172D-01-0.460D-03-0.304D-01-0.503D-01 0.124D+00
 Coeff-Com:  0.953D+00
 Coeff:     -0.129D-01 0.172D-01-0.460D-03-0.304D-01-0.503D-01 0.124D+00
 Coeff:      0.953D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=4.24D-06 MaxDP=1.34D-03 DE=-3.16D-07 OVMax= 5.77D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.39D-06    CP:  1.90D+00  3.00D+00  1.10D+00  6.58D-01  1.26D+00
                    CP:  9.07D-01  1.02D+00
 E= -680.898132359609     Delta-E=       -0.000000029008 Rises=F Damp=F
 DIIS: error= 1.61D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -680.898132359609     IErMin= 8 ErrMin= 1.61D-06
 ErrMax= 1.61D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.88D-09 BMatP= 1.84D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.742D-02 0.986D-02 0.627D-03-0.130D-01-0.377D-01 0.507D-02
 Coeff-Com:  0.324D+00 0.719D+00
 Coeff:     -0.742D-02 0.986D-02 0.627D-03-0.130D-01-0.377D-01 0.507D-02
 Coeff:      0.324D+00 0.719D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=1.82D-06 MaxDP=7.10D-04 DE=-2.90D-08 OVMax= 1.09D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.69D-07    CP:  1.90D+00  3.00D+00  1.10D+00  6.57D-01  1.27D+00
                    CP:  9.11D-01  1.06D+00  1.07D+00
 E= -680.898132361675     Delta-E=       -0.000000002066 Rises=F Damp=F
 DIIS: error= 2.45D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -680.898132361675     IErMin= 9 ErrMin= 2.45D-07
 ErrMax= 2.45D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.99D-11 BMatP= 1.88D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.217D-03 0.286D-03 0.238D-03 0.119D-03-0.221D-02-0.911D-02
 Coeff-Com: -0.250D-01 0.144D+00 0.891D+00
 Coeff:     -0.217D-03 0.286D-03 0.238D-03 0.119D-03-0.221D-02-0.911D-02
 Coeff:     -0.250D-01 0.144D+00 0.891D+00
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=4.76D-07 MaxDP=1.79D-04 DE=-2.07D-09 OVMax= 3.37D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.02D-07    CP:  1.90D+00  3.00D+00  1.10D+00  6.56D-01  1.27D+00
                    CP:  9.10D-01  1.06D+00  1.12D+00  9.24D-01
 E= -680.898132361817     Delta-E=       -0.000000000143 Rises=F Damp=F
 DIIS: error= 7.43D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -680.898132361817     IErMin=10 ErrMin= 7.43D-08
 ErrMax= 7.43D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.64D-12 BMatP= 7.99D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.340D-03-0.452D-03-0.254D-04 0.650D-03 0.178D-02-0.854D-03
 Coeff-Com: -0.166D-01-0.270D-01 0.170D-01 0.103D+01
 Coeff:      0.340D-03-0.452D-03-0.254D-04 0.650D-03 0.178D-02-0.854D-03
 Coeff:     -0.166D-01-0.270D-01 0.170D-01 0.103D+01
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=7.93D-08 MaxDP=2.91D-05 DE=-1.43D-10 OVMax= 1.06D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.29D-08    CP:  1.90D+00  3.00D+00  1.10D+00  6.56D-01  1.27D+00
                    CP:  9.10D-01  1.06D+00  1.12D+00  9.24D-01  1.18D+00
 E= -680.898132361738     Delta-E=        0.000000000079 Rises=F Damp=F
 DIIS: error= 3.40D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -680.898132361817     IErMin=11 ErrMin= 3.40D-08
 ErrMax= 3.40D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.35D-13 BMatP= 1.64D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.350D-04 0.466D-04-0.161D-04-0.816D-04-0.836D-04 0.662D-03
 Coeff-Com:  0.381D-02-0.545D-02-0.544D-01-0.106D+00 0.116D+01
 Coeff:     -0.350D-04 0.466D-04-0.161D-04-0.816D-04-0.836D-04 0.662D-03
 Coeff:      0.381D-02-0.545D-02-0.544D-01-0.106D+00 0.116D+01
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=2.02D-08 MaxDP=7.74D-06 DE= 7.91D-11 OVMax= 5.74D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  5.26D-09    CP:  1.90D+00  3.00D+00  1.10D+00  6.56D-01  1.27D+00
                    CP:  9.10D-01  1.06D+00  1.12D+00  9.22D-01  1.18D+00
                    CP:  1.17D+00
 E= -680.898132361706     Delta-E=        0.000000000032 Rises=F Damp=F
 DIIS: error= 1.34D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=10 EnMin= -680.898132361817     IErMin=12 ErrMin= 1.34D-08
 ErrMax= 1.34D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.44D-14 BMatP= 2.35D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.356D-04 0.473D-04 0.498D-05-0.727D-04-0.198D-03 0.681D-04
 Coeff-Com:  0.165D-02 0.319D-02 0.150D-03-0.110D+00-0.608D-01 0.117D+01
 Coeff:     -0.356D-04 0.473D-04 0.498D-05-0.727D-04-0.198D-03 0.681D-04
 Coeff:      0.165D-02 0.319D-02 0.150D-03-0.110D+00-0.608D-01 0.117D+01
 Gap=     0.390 Goal=   None    Shift=    0.000
 RMSDP=2.61D-09 MaxDP=2.53D-07 DE= 3.23D-11 OVMax= 2.93D-07

 SCF Done:  E(RwB97XD) =  -680.898132362     A.U. after   12 cycles
            NFock= 12  Conv=0.26D-08     -V/T= 2.1213
 KE= 6.072232905627D+02 PE=-3.904269336548D+03 EE= 1.418002185842D+03
 Leave Link  502 at Fri Jul  9 00:46:00 2021, MaxMem= 10737418240 cpu:           17512.1 elap:            1095.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   546
 NBasis=   546 NAE=    58 NBE=    58 NFC=     0 NFV=     0
 NROrb=    546 NOA=    58 NOB=    58 NVA=   488 NVB=   488

 **** Warning!!: The largest alpha MO coefficient is  0.42503987D+03

 Leave Link  801 at Fri Jul  9 00:46:01 2021, MaxMem= 10737418240 cpu:               1.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  45.
        11517 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   10737418240 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          37
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.72D-13 8.33D-09 XBig12= 1.00D+00 2.55D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.72D-13 8.33D-09 XBig12= 1.52D-01 4.19D-02.
     11 vectors produced by pass  2 Test12= 4.72D-13 8.33D-09 XBig12= 4.64D-02 5.56D-02.
     11 vectors produced by pass  3 Test12= 4.72D-13 8.33D-09 XBig12= 7.26D-03 2.05D-02.
     11 vectors produced by pass  4 Test12= 4.72D-13 8.33D-09 XBig12= 1.17D-03 8.32D-03.
     11 vectors produced by pass  5 Test12= 4.72D-13 8.33D-09 XBig12= 1.43D-04 3.68D-03.
     11 vectors produced by pass  6 Test12= 4.72D-13 8.33D-09 XBig12= 4.06D-05 2.57D-03.
     11 vectors produced by pass  7 Test12= 4.72D-13 8.33D-09 XBig12= 6.99D-06 9.37D-04.
     11 vectors produced by pass  8 Test12= 4.72D-13 8.33D-09 XBig12= 4.96D-07 2.32D-04.
     11 vectors produced by pass  9 Test12= 4.72D-13 8.33D-09 XBig12= 2.98D-08 5.60D-05.
     11 vectors produced by pass 10 Test12= 4.72D-13 8.33D-09 XBig12= 2.06D-09 9.00D-06.
      9 vectors produced by pass 11 Test12= 4.72D-13 8.33D-09 XBig12= 8.10D-11 1.83D-06.
      3 vectors produced by pass 12 Test12= 4.72D-13 8.33D-09 XBig12= 2.41D-12 4.13D-07.
      1 vectors produced by pass 13 Test12= 4.72D-13 8.33D-09 XBig12= 6.91D-14 5.85D-08.
      1 vectors produced by pass 14 Test12= 4.72D-13 8.33D-09 XBig12= 1.63D-15 9.05D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 4.26D-14
 Solved reduced A of dimension   135 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.151756D+03
      2 -0.182237D-02  0.151737D+03
      3 -0.436188D-02 -0.152180D-02  0.126050D+03
 Isotropic polarizability for W=    0.085645      143.18 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.570446D+02  0.855171D+02 -0.302791D-02
      2  -0.570627D+02 -0.855035D+02 -0.881069D-02
      3   0.181153D-01 -0.135314D-01  0.118386D-01
      4   0.855573D+02 -0.571076D+02 -0.219215D-02
      5  -0.110839D-01  0.572226D+01 -0.484640D-02
      6  -0.572014D+01 -0.286746D-01 -0.362723D-02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.116151D+01  0.133188D-01 -0.322547D-01
      2  -0.187294D-01 -0.114957D+01  0.185386D-01
      3   0.742760D-01 -0.347194D-01 -0.348312D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.572446D+01 -0.198639D-01 -0.990416D-02
      2   0.805603D-02  0.571795D+01 -0.229617D-01
      3   0.402706D-01  0.448645D-01 -0.114424D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.885231D+00 -0.123334D-03 -0.670952D-02
      2  -0.123334D-03 -0.892830D+00  0.678304D-02
      3  -0.670952D-02  0.678304D-02 -0.401614D+01
 OR G Eigenvalues:    -4.0162    -0.8928    -0.8852  Iso=     1.9314
 Eigenvectors:
   (1)   0.002143  -0.002172   0.999995
   (2)   0.018139   0.999833   0.002132
   (3)   0.999833  -0.018134  -0.002182
 w=    0.085645 a.u., Optical Rotation Beta=      1.9314 au.
 Molar Mass =    283.2013 grams/mole, [Alpha] ( 5320.0 A) =      323.45 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  149331 ScalPx= 1.21D+02
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  149331 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.40D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.86D-14 2.78D-09 XBig12= 1.00D+00 3.86D-01.
     30 vectors produced by pass  1 Test12= 7.86D-14 2.78D-09 XBig12= 6.47D-01 3.69D-01.
     30 vectors produced by pass  2 Test12= 7.86D-14 2.78D-09 XBig12= 1.32D-02 2.56D-02.
     30 vectors produced by pass  3 Test12= 7.86D-14 2.78D-09 XBig12= 3.43D-04 4.20D-03.
     30 vectors produced by pass  4 Test12= 7.86D-14 2.78D-09 XBig12= 7.38D-06 4.92D-04.
     30 vectors produced by pass  5 Test12= 7.86D-14 2.78D-09 XBig12= 9.07D-08 5.91D-05.
     30 vectors produced by pass  6 Test12= 7.86D-14 2.78D-09 XBig12= 8.40D-10 4.38D-06.
     30 vectors produced by pass  7 Test12= 7.86D-14 2.78D-09 XBig12= 9.38D-12 5.51D-07.
     30 vectors produced by pass  8 Test12= 7.86D-14 2.78D-09 XBig12= 9.07D-14 5.44D-08.
      8 vectors produced by pass  9 Test12= 7.86D-14 2.78D-09 XBig12= 6.69D-15 8.68D-09.
      1 vectors produced by pass 10 Test12= 7.86D-14 2.78D-09 XBig12= 6.32D-16 3.15D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.22D-15
 Solved reduced A of dimension   279 with    30 vectors.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  149331 ScalPx= 3.62D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  149331 ScalPx= 3.62D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  149331 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.24D+03
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   29890 NPrTT=  144244 LenC2=   29891 LenP2D=  144244.
 LDataN:  DoStor=T MaxTD1= 9 Len=  602
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.151756D+03 -0.182237D-02 -0.436188D-02
      2  -0.182237D-02  0.151737D+03 -0.152180D-02
      3  -0.436188D-02 -0.152180D-02  0.126050D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.116151D+01  0.133188D-01 -0.322547D-01
      2  -0.187294D-01 -0.114957D+01  0.185386D-01
      3   0.742760D-01 -0.347194D-01 -0.348312D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.570446D+02  0.855171D+02 -0.302791D-02
      2  -0.570627D+02 -0.855035D+02 -0.881069D-02
      3   0.181153D-01 -0.135314D-01  0.118386D-01
      4   0.855573D+02 -0.571076D+02 -0.219215D-02
      5  -0.110839D-01  0.572226D+01 -0.484640D-02
      6  -0.572014D+01 -0.286746D-01 -0.362723D-02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.266850D+01 -0.101883D+01 -0.255469D+01 -0.118051D+01 -0.289833D+01
      2  -0.101883D+01 -0.482465D+01  0.108372D+01 -0.289833D+01  0.592771D+01
      3  -0.255469D+01  0.108372D+01  0.815643D+00  0.334380D+00 -0.340878D+01
                 6             7             8             9            10 
      1   0.334380D+00 -0.192430D+01  0.553256D+00  0.890172D+00 -0.139106D+01
      2  -0.340878D+01  0.553256D+00 -0.287594D+01  0.822643D+00  0.352620D+01
      3   0.575435D+00  0.890172D+00  0.822643D+00  0.756937D+00  0.318056D+01
                11            12            13            14            15 
      1   0.352620D+01  0.318056D+01  0.262874D+01  0.347850D+01  0.429169D+00
      2   0.519869D+01  0.117860D+01  0.347850D+01  0.905192D+00  0.279220D+01
      3   0.117860D+01 -0.533271D+00  0.429169D+00  0.279220D+01  0.823265D+00
                16            17            18            19            20 
      1   0.247736D+01  0.761662D+00 -0.492938D+00  0.840011D+00 -0.197875D+01
      2   0.761662D+00  0.236041D+01  0.112725D+01 -0.197875D+01 -0.244922D+01
      3  -0.492938D+00  0.112725D+01 -0.725541D+00 -0.175875D+01 -0.706028D+00
                21            22            23            24            25 
      1  -0.175875D+01 -0.327058D+01 -0.484827D+01 -0.184963D+01 -0.217842D+01
      2  -0.706028D+00 -0.484827D+01 -0.501537D+01 -0.418021D+01 -0.119143D+01
      3  -0.105526D+01 -0.184963D+01 -0.418021D+01 -0.178840D+01 -0.137519D+01
                26            27            28            29            30 
      1  -0.119143D+01 -0.137519D+01 -0.914954D+00 -0.147082D+01  0.265250D-01
      2  -0.254973D+01 -0.157374D+01 -0.147082D+01  0.105592D+01 -0.179006D+01
      3  -0.157374D+01  0.156834D+01  0.265250D-01 -0.179006D+01  0.377858D-01
                31            32            33            34            35 
      1  -0.150320D+01  0.103392D+01  0.179260D+01  0.942791D-01 -0.235290D-01
      2   0.103392D+01  0.143007D+01  0.342387D-01 -0.235290D-01  0.115278D+00
      3   0.179260D+01  0.342387D-01 -0.217291D-01  0.212898D-01 -0.313437D-01
                36            37            38            39            40 
      1   0.212898D-01 -0.168957D+01  0.895526D+00  0.117906D+01  0.612008D+00
      2  -0.313437D-01  0.895526D+00 -0.113492D+00  0.576087D+00  0.267204D+01
      3   0.567737D-01  0.117906D+01  0.576087D+00  0.250059D+00 -0.604328D+00
                41            42            43            44            45 
      1   0.267204D+01 -0.604328D+00  0.137261D+01 -0.676300D+00  0.649065D+00
      2  -0.875653D+01  0.468457D+01 -0.676300D+00  0.326792D+01 -0.192634D+01
      3   0.468457D+01 -0.201938D+01  0.649065D+00 -0.192634D+01 -0.161292D+01
                46            47            48            49            50 
      1   0.342207D+01  0.454293D+01  0.380967D+01  0.234043D+01  0.291619D+01
      2   0.454293D+01  0.454364D+01  0.211123D+01  0.291619D+01  0.250787D+00
      3   0.380967D+01  0.211123D+01  0.161748D+01  0.951228D+00  0.208466D+01
                51            52            53            54            55 
      1   0.951228D+00  0.218474D+01  0.118654D+01  0.136974D+01  0.559462D+00
      2   0.208466D+01  0.118654D+01  0.245732D+01  0.156024D+01 -0.254371D+01
      3   0.125095D+01  0.136974D+01  0.156024D+01 -0.158717D+01 -0.259204D+01
                56            57            58            59            60 
      1  -0.254371D+01 -0.259204D+01 -0.420946D+01 -0.464068D+01 -0.109778D+01
      2  -0.351758D+01 -0.339657D+00 -0.464068D+01 -0.106150D+00 -0.337272D+01
      3  -0.339657D+00 -0.860344D+00 -0.109778D+01 -0.337272D+01  0.425758D+00
                61            62            63            64            65 
      1  -0.217012D+01 -0.708651D+00 -0.116268D+01 -0.708892D+01  0.159939D+01
      2  -0.708651D+00 -0.266696D+01  0.357329D+00  0.159939D+01  0.207934D+01
      3  -0.116268D+01  0.357329D+00  0.735027D+00  0.357890D+01 -0.202381D+00
                66            67            68            69            70 
      1   0.357890D+01  0.354039D+01  0.219287D+01 -0.955169D+00  0.305157D+01
      2  -0.202381D+00  0.219287D+01 -0.201713D+01  0.237302D+01 -0.403932D+00
      3  -0.478029D+00 -0.955169D+00  0.237302D+01 -0.877790D+00 -0.712643D+00
                71            72            73            74            75 
      1  -0.403932D+00 -0.712643D+00  0.924770D+01 -0.122832D+01 -0.467157D+01
      2   0.180665D+01 -0.988565D+00 -0.122832D+01 -0.130762D+01  0.144742D+00
      3  -0.988565D+00 -0.746756D+00 -0.467157D+01  0.144742D+00  0.206289D+01
                76            77            78            79            80 
      1   0.149314D+01 -0.124264D+01 -0.988777D+00 -0.347817D+01  0.404379D+00
      2  -0.124264D+01  0.125014D+01 -0.124010D+01  0.404379D+00 -0.125597D+01
      3  -0.988777D+00 -0.124010D+01 -0.132564D-01  0.201930D+01 -0.406433D+00
                81            82            83            84            85 
      1   0.201930D+01 -0.351516D+00  0.156092D+01 -0.247967D+01  0.149248D+00
      2  -0.406433D+00  0.156092D+01 -0.603741D+01  0.226848D+01 -0.370341D+01
      3   0.158029D+01 -0.247967D+01  0.226848D+01 -0.101975D+01  0.112737D+01
                86            87            88            89            90 
      1  -0.370341D+01  0.112737D+01 -0.143804D+01  0.752895D+00 -0.674235D+00
      2   0.544110D+01 -0.345995D+01  0.752895D+00 -0.330151D+01  0.196279D+01
      3  -0.345995D+01  0.179594D+01 -0.674235D+00  0.196279D+01  0.157625D+01
                91            92            93            94            95 
      1  -0.175545D+01  0.145897D+01  0.218462D+01  0.387806D+00  0.452654D+01
      2   0.145897D+01  0.284828D+01  0.157019D+00  0.452654D+01 -0.551157D+01
      3   0.218462D+01  0.157019D+00  0.985474D+00 -0.614988D+00  0.379778D+01
                96            97            98            99           100 
      1  -0.614988D+00  0.170212D+01 -0.318891D+00  0.121021D+01  0.684189D+01
      2   0.379778D+01 -0.318891D+00  0.307296D+01 -0.125112D+00 -0.331162D+01
      3   0.401136D-01  0.121021D+01 -0.125112D+00 -0.788447D+00 -0.379558D+01
               101           102           103           104           105 
      1  -0.331162D+01 -0.379558D+01 -0.155602D+01 -0.244275D+01 -0.360889D+00
      2  -0.157862D+01  0.381010D+00 -0.244275D+01  0.101842D+01 -0.215246D+01
      3   0.381010D+00  0.792642D-01 -0.360889D+00 -0.215246D+01 -0.984380D+00
               106           107           108           109           110 
      1  -0.312645D+01  0.129900D+00  0.265851D+00 -0.702677D+01  0.293513D+01
      2   0.129900D+00 -0.165644D+01 -0.118147D+01  0.293513D+01  0.721139D+00
      3   0.265851D+00 -0.118147D+01  0.799546D+00  0.386043D+01 -0.934191D+00
               111           112           113           114           115 
      1   0.386043D+01  0.542174D+01 -0.350389D+00 -0.207903D+01  0.338127D+01
      2  -0.934191D+00 -0.350389D+00  0.154458D+00  0.203620D+01 -0.458986D+00
      3  -0.190178D+01 -0.207903D+01  0.203620D+01  0.783669D+00 -0.200228D+01
               116           117           118           119           120 
      1  -0.458986D+00 -0.200228D+01  0.110262D+02  0.108628D+00 -0.297557D+01
      2   0.122842D+01  0.409464D+00  0.108628D+00  0.100298D+01  0.233124D-01
      3   0.409464D+00 -0.162156D+01 -0.297557D+01  0.233124D-01  0.205008D+01
               121           122           123           124           125 
      1  -0.216107D+01  0.111696D+01  0.817364D+00 -0.299742D+01  0.296224D-02
      2   0.111696D+01  0.105055D+00 -0.729641D+00  0.296224D-02 -0.486732D+00
      3   0.817364D+00 -0.729641D+00 -0.259712D+00  0.244591D+01  0.170838D+00
               126           127           128           129           130 
      1   0.244591D+01  0.120234D+00  0.621334D+00 -0.872845D+00  0.114044D+01
      2   0.170838D+00  0.621334D+00 -0.674463D+00  0.234322D+00  0.463930D+00
      3  -0.146450D+01 -0.872845D+00  0.234322D+00 -0.359158D+00 -0.184972D+00
               131           132           133           134           135 
      1   0.463930D+00 -0.184972D+00 -0.132699D+01 -0.357881D+00  0.397604D+00
      2   0.463724D+01 -0.216951D+01 -0.357881D+00 -0.180023D+01  0.167990D+01
      3  -0.216951D+01  0.227500D+01  0.397604D+00  0.167990D+01 -0.215539D+01
               136           137           138           139           140 
      1   0.566780D+01  0.295859D+01  0.172613D+01  0.474252D+01  0.403769D+01
      2   0.295859D+01  0.253588D+01  0.785126D+00  0.403769D+01  0.425946D+01
      3   0.172613D+01  0.785126D+00  0.145480D+01  0.159150D+01  0.197318D+01
               141           142           143           144           145 
      1   0.159150D+01  0.208532D+01  0.122641D+01  0.204940D+01  0.206850D+01
      2   0.197318D+01  0.122641D+01  0.143630D+01  0.136081D+01 -0.916812D+00
      3   0.145110D+01  0.204940D+01  0.136081D+01  0.148956D+01  0.133916D+01
               146           147           148           149           150 
      1  -0.916812D+00  0.133916D+01 -0.202834D+01  0.157958D+01 -0.822032D+00
      2   0.985100D+00 -0.403787D+00  0.157958D+01 -0.288296D+01  0.171361D+01
      3  -0.403787D+00  0.109788D+01 -0.822032D+00  0.171361D+01 -0.202015D+01
               151           152           153           154           155 
      1   0.187465D+01 -0.322259D+00  0.133973D+01 -0.218440D+01  0.180739D+01
      2  -0.322259D+00  0.128213D+01 -0.109411D+01  0.180739D+01 -0.194994D+01
      3   0.133973D+01 -0.109411D+01  0.216125D+01 -0.922030D+00  0.347324D+00
               156           157           158           159           160 
      1  -0.922030D+00  0.288583D+01 -0.403449D+01  0.116409D+01 -0.111461D+01
      2   0.347324D+00 -0.403449D+01  0.859309D+01 -0.278569D+01  0.108520D+01
      3  -0.787428D+00  0.116409D+01 -0.278569D+01  0.190820D+01 -0.136853D+01
               161           162           163           164           165 
      1   0.108520D+01 -0.136853D+01 -0.363030D+01 -0.787952D+00 -0.181869D+01
      2  -0.237298D+01  0.203284D+01 -0.787952D+00 -0.108612D+01 -0.368299D+00
      3   0.203284D+01 -0.146466D+01 -0.181869D+01 -0.368299D+00 -0.180850D+01
               166           167           168           169           170 
      1  -0.205060D+01 -0.121464D+01 -0.787660D+00 -0.197167D+01 -0.237813D-01
      2  -0.121464D+01 -0.133608D+01 -0.122610D+01 -0.237813D-01 -0.112744D+01
      3  -0.787660D+00 -0.122610D+01 -0.146543D+01 -0.165276D+01 -0.491934D+00
               171           172           173           174           175 
      1  -0.165276D+01 -0.977537D+01  0.335049D+01  0.294385D+01  0.120233D+01
      2  -0.491934D+00  0.335049D+01 -0.213860D+01 -0.892026D+00 -0.137115D+01
      3  -0.212407D+01  0.294385D+01 -0.892026D+00 -0.199463D+01 -0.896216D-01
               176           177           178           179           180 
      1  -0.137115D+01 -0.896216D-01  0.262686D+01 -0.876027D+00 -0.219284D+01
      2   0.149768D+01  0.756097D+00 -0.876027D+00  0.845751D+00  0.109158D+01
      3   0.756097D+00  0.540195D+00 -0.219284D+01  0.109158D+01  0.145821D+01
               181           182           183           184           185 
      1   0.884069D+00  0.102121D+01  0.107751D+01  0.107046D+01  0.556397D+00
      2   0.102121D+01  0.181628D+01  0.690222D+00  0.556397D+00  0.408604D+01
      3   0.107751D+01  0.690222D+00  0.121435D+01  0.267994D+00  0.196263D+01
               186           187           188           189           190 
      1   0.267994D+00  0.114246D+01 -0.949749D-01  0.272777D+00 -0.294482D+01
      2   0.196263D+01 -0.949749D-01  0.198085D+01  0.170029D+01 -0.347981D+01
      3   0.197519D+01  0.272777D+00  0.170029D+01  0.213035D+01 -0.165999D+01
               191           192           193           194           195 
      1  -0.347981D+01 -0.165999D+01 -0.223374D+01 -0.293531D+01 -0.776420D+00
      2  -0.487433D+01 -0.158433D+01 -0.293531D+01 -0.711070D+01 -0.204557D+01
      3  -0.158433D+01 -0.124740D+01 -0.776420D+00 -0.204557D+01 -0.163244D+01
               196           197           198           199           200 
      1  -0.113516D+01 -0.110815D+01 -0.108644D+01  0.341562D+01 -0.153311D+01
      2  -0.110815D+01 -0.240709D+01 -0.221366D+01 -0.153311D+01  0.186234D+01
      3  -0.108644D+01 -0.221366D+01 -0.149654D+01 -0.186612D+01  0.758297D+00
               201           202           203           204           205 
      1  -0.186612D+01 -0.791002D+00  0.845721D+00  0.337423D+00 -0.136578D+01
      2   0.758297D+00  0.845721D+00 -0.160320D+01 -0.116847D+01  0.384241D+00
      3   0.214916D+01  0.337423D+00 -0.116847D+01 -0.829742D+00  0.125315D+01
               206           207           208           209           210 
      1   0.384241D+00  0.125315D+01  0.373966D+00 -0.151922D+01  0.883449D+00
      2  -0.174508D+01 -0.118973D+01 -0.151922D+01  0.327181D+01 -0.110278D+01
      3  -0.118973D+01 -0.215390D+01  0.883449D+00 -0.110278D+01  0.528158D+00
               211           212           213           214           215 
      1  -0.110430D+01  0.100636D+01 -0.299114D+00  0.530918D+00 -0.326264D+00
      2   0.100636D+01 -0.105568D+02  0.282448D+01 -0.326264D+00  0.294526D+01
      3  -0.299114D+00  0.282448D+01 -0.199860D+01  0.151837D+00 -0.244429D+01
               216           217           218           219           220 
      1   0.151837D+00 -0.452292D+01 -0.831620D+00  0.215376D+01  0.236021D+00
      2  -0.244429D+01 -0.831620D+00 -0.126728D+01  0.351172D+00 -0.606284D+00
      3   0.146161D+01  0.215376D+01  0.351172D+00 -0.230342D+01 -0.685298D-01
               221           222           223           224           225 
      1  -0.606284D+00 -0.685298D-01  0.169918D+01  0.408595D+00 -0.161277D+01
      2  -0.443350D+00  0.887737D+00  0.408595D+00  0.143019D+01 -0.615240D+00
      3   0.887737D+00  0.596542D-01 -0.161277D+01 -0.615240D+00  0.215368D+01
               226           227           228           229           230 
      1   0.510034D+01 -0.165833D+01  0.759999D+00 -0.183032D+01  0.949457D+00
      2  -0.165833D+01  0.311611D+01 -0.114738D+01  0.949457D+00 -0.410420D+00
      3   0.759999D+00 -0.114738D+01  0.127929D+01 -0.159122D+00 -0.569269D+00
               231           232           233           234           235 
      1  -0.159122D+00  0.336271D-02  0.102955D+00  0.560706D+00  0.602665D+00
      2  -0.569269D+00  0.102955D+00 -0.184161D+01  0.451956D+00 -0.361376D+00
      3  -0.935792D-01  0.560706D+00  0.451956D+00  0.213726D+00  0.681913D+00
               236           237           238           239           240 
      1  -0.361376D+00  0.681913D+00 -0.435168D+00 -0.429988D+00  0.226064D+00
      2  -0.924630D+00  0.291681D+00 -0.429988D+00  0.133750D+01 -0.152189D+00
      3   0.291681D+00 -0.185654D+00  0.226064D+00 -0.152189D+00  0.676916D+00
               241           242           243           244           245 
      1   0.975143D+00 -0.587061D-01  0.941960D+00 -0.640113D+01 -0.500863D+00
      2  -0.587061D-01  0.191552D+01 -0.106395D+01 -0.500863D+00 -0.204471D+01
      3   0.941960D+00 -0.106395D+01  0.701721D+01 -0.102323D+01 -0.488987D+00
               246           247           248           249           250 
      1  -0.102323D+01  0.156178D+00  0.251340D-01  0.500729D+00  0.330875D+00
      2  -0.488987D+00  0.251340D-01  0.889605D+00  0.833253D+00  0.721526D+00
      3  -0.121770D+01  0.500729D+00  0.833253D+00  0.401753D+00 -0.348177D+00
               251           252           253           254           255 
      1   0.721526D+00 -0.348177D+00 -0.534508D+00  0.619657D+00 -0.373898D+00
      2   0.149085D+01  0.628771D+00  0.619657D+00  0.117436D+01  0.511125D+00
      3   0.628771D+00 -0.211952D+00 -0.373898D+00  0.511125D+00  0.430774D+00
               256           257           258           259           260 
      1   0.364184D+00  0.755980D+00  0.447508D+00 -0.115470D+01 -0.372064D+00
      2   0.755980D+00  0.350049D+00 -0.148936D+00 -0.372064D+00 -0.173639D+01
      3   0.447508D+00 -0.148936D+00  0.554722D+00 -0.127838D+01 -0.621093D+00
               261           262           263           264           265 
      1  -0.127838D+01 -0.391267D+01 -0.178079D+01  0.337186D+00 -0.356322D+01
      2  -0.621093D+00 -0.178079D+01 -0.214434D+01  0.404526D+00 -0.925347D+00
      3  -0.701642D+01  0.337186D+00  0.404526D+00 -0.722898D+00  0.139209D+01
               266           267           268           269           270 
      1  -0.925347D+00  0.139209D+01 -0.146036D+01  0.744420D+00  0.106121D+00
      2  -0.241365D+01 -0.131277D+00  0.744420D+00 -0.365740D+00 -0.709983D+00
      3  -0.131277D+00 -0.105896D+01  0.106121D+00 -0.709983D+00  0.221023D+00
               271           272           273           274           275 
      1   0.121623D+01 -0.894213D+00 -0.170321D+00 -0.434393D+00 -0.457620D+00
      2  -0.894213D+00 -0.275486D+00  0.265128D+00 -0.457620D+00  0.265381D+00
      3  -0.170321D+00  0.265128D+00  0.680949D+00  0.197547D+00  0.699729D+00
               276           277           278           279           280 
      1   0.197547D+00  0.173025D+01 -0.377346D+00 -0.139071D+01  0.194721D+01
      2   0.699729D+00 -0.377346D+00  0.115906D+01 -0.281052D+00  0.532869D+00
      3  -0.172869D+00 -0.139071D+01 -0.281052D+00  0.701892D+01  0.365297D+00
               281           282           283           284           285 
      1   0.532869D+00  0.365297D+00  0.198738D+01  0.158304D+01 -0.313506D+00
      2   0.320373D+01 -0.129871D+01  0.158304D+01  0.478941D+01 -0.549462D+00
      3  -0.129871D+01  0.953277D+00 -0.313506D+00 -0.549462D+00  0.851069D+00
               286           287           288           289           290 
      1   0.586156D+00 -0.855387D+00  0.717665D+00 -0.366939D+00  0.207983D+00
      2  -0.855387D+00  0.126366D+01 -0.147664D-01  0.207983D+00  0.665685D+00
      3   0.717665D+00 -0.147664D-01 -0.212687D+00 -0.622593D+00 -0.306367D+00
               291           292           293           294           295 
      1  -0.622593D+00 -0.289917D-01  0.109370D+01 -0.370299D+00 -0.126947D+01
      2  -0.306367D+00  0.109370D+01 -0.875294D+00  0.946659D-01  0.438051D+00
      3   0.268581D+00 -0.370299D+00  0.946659D-01 -0.644869D+00  0.104996D+00
               296           297           298           299           300 
      1   0.438051D+00  0.104996D+00 -0.113655D+01 -0.105952D+00 -0.792941D+00
      2  -0.162596D+01  0.142288D+01 -0.105952D+00 -0.102001D+01 -0.742283D+00
      3   0.142288D+01 -0.701780D+01 -0.792941D+00 -0.742283D+00 -0.555214D+00
               301           302           303           304           305 
      1   0.185954D+01 -0.967078D-01  0.245557D+00 -0.128221D+01 -0.852617D+00
      2  -0.967078D-01  0.637760D+01  0.996204D+00 -0.852617D+00 -0.532886D+00
      3   0.245557D+00  0.996204D+00  0.115483D+01 -0.670363D+00  0.258249D+00
               306           307           308           309           310 
      1  -0.670363D+00 -0.193068D-01 -0.609757D+00  0.278900D+00 -0.995105D+00
      2   0.258249D+00 -0.609757D+00 -0.597475D+00 -0.456528D+00 -0.906391D+00
      3   0.217146D+00  0.278900D+00 -0.456528D+00 -0.491518D+00 -0.522515D+00
               311           312           313           314           315 
      1  -0.906391D+00 -0.522515D+00  0.162935D+01  0.435561D+00  0.448950D+00
      2   0.267121D+00  0.247543D+00  0.435561D+00  0.126112D+01  0.134181D+01
      3   0.247543D+00 -0.504977D+00  0.448950D+00  0.134181D+01  0.701644D+01
               316           317           318           319           320 
      1   0.115709D+01 -0.133088D+01  0.374507D+00 -0.345313D+01  0.170099D+01
      2  -0.133088D+01  0.216606D+01  0.309329D+00  0.170099D+01 -0.438141D+01
      3   0.374507D+00  0.309329D+00  0.262913D+00  0.129543D+01 -0.566663D+00
               321           322           323           324           325 
      1   0.129543D+01  0.182960D+01  0.135037D+00 -0.372585D+00 -0.151238D+01
      2  -0.566663D+00  0.135037D+00  0.662296D-02 -0.612925D+00  0.115514D+00
      3  -0.125344D+01 -0.372585D+00 -0.612925D+00 -0.213801D+00  0.209115D+00
               326           327           328           329           330 
      1   0.115514D+00  0.209115D+00  0.610740D+00  0.569371D+00 -0.173666D+00
      2   0.578645D+00 -0.108673D+00  0.569371D+00 -0.412475D+00 -0.734821D+00
      3  -0.108673D+00 -0.696848D+00 -0.173666D+00 -0.734821D+00  0.959220D-01
               331           332           333 
      1  -0.191425D+01 -0.664188D-01  0.117707D+01
      2  -0.664188D-01 -0.977571D+00 -0.793929D+00
      3   0.117707D+01 -0.793929D+00 -0.701818D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.106186D+02 -0.673605D+01  0.533841D+01 -0.539351D+01 -0.210641D+01
      2   0.495760D+00  0.282763D+01  0.314549D+01  0.167624D+01  0.258177D+01
      3  -0.854525D+01  0.281387D+01  0.866298D+01  0.599898D+01  0.910341D+01
                 6             7             8             9            10 
      1  -0.820387D+01  0.211527D+00 -0.284173D+01  0.168367D+01  0.435701D+01
      2   0.764443D+00  0.372127D+00  0.779057D-02 -0.102875D+01 -0.270678D+01
      3   0.114081D+01  0.943129D+01  0.231078D+01 -0.361687D+01  0.914571D+01
                11            12            13            14            15 
      1  -0.797712D+01 -0.650953D+01 -0.626576D+01  0.849867D+01 -0.600173D+01
      2   0.170978D+01  0.549310D+01  0.227671D+01  0.638541D+00  0.387987D+00
      3  -0.460440D+01 -0.753287D+01 -0.146327D+01 -0.960289D+01  0.441568D+01
                16            17            18            19            20 
      1  -0.106479D+01 -0.229903D+01 -0.186544D+01 -0.253819D+00 -0.104704D+01
      2   0.788962D+00  0.817938D+00 -0.374055D+00  0.195720D+02  0.141339D+02
      3  -0.783452D+01  0.567397D+01  0.360007D+01 -0.207784D+02 -0.182186D+02
                21            22            23            24            25 
      1   0.272184D+01 -0.342663D+01 -0.178004D+02  0.259725D+00  0.112820D+02
      2   0.908158D+01  0.428082D+01 -0.129078D+01 -0.392778D+01 -0.109096D+02
      3  -0.865815D+01  0.299764D+01  0.172564D+02  0.426364D+01 -0.216162D+01
                26            27            28            29            30 
      1   0.194433D+02  0.178191D+02  0.213837D+01  0.282535D+01  0.143220D+00
      2  -0.133573D+02 -0.172766D+02  0.272494D+01 -0.211008D+01 -0.635890D+01
      3   0.303245D+01  0.465125D+00  0.199167D-01  0.863011D+01 -0.569492D-01
                31            32            33            34            35 
      1   0.295161D+01 -0.181694D+01  0.643918D+01  0.284363D+00 -0.763227D+01
      2  -0.223037D+01 -0.306965D+01  0.777461D-01  0.781566D+01  0.435473D-01
      3  -0.861796D+01 -0.113792D+00  0.160277D+00  0.221786D+00  0.406962D+00
                36            37            38            39            40 
      1  -0.665015D-01  0.486864D+01 -0.174414D+01  0.148544D+01 -0.160937D+00
      2  -0.500181D+00  0.883609D+01 -0.197396D+02  0.101643D+02 -0.961667D+01
      3  -0.150298D+00  0.994552D+01 -0.296733D+02  0.982793D+01 -0.836451D+01
                41            42            43            44            45 
      1   0.188650D+02  0.119192D+01 -0.473683D+01  0.270146D+02 -0.231175D+02
      2   0.132243D+01 -0.451716D+00 -0.343851D+01  0.658079D+01 -0.903445D+01
      3  -0.616204D+01  0.517295D+00  0.322163D+01  0.173274D+01 -0.323800D+00
                46            47            48            49            50 
      1   0.884332D+00 -0.209365D+01  0.491250D+01 -0.114838D+02 -0.216568D+02
      2   0.174862D+02  0.556910D+01  0.862083D+00  0.197333D+01 -0.166763D+01
      3  -0.186869D+02 -0.820536D+01 -0.539584D+01  0.128773D+02  0.220648D+02
                51            52            53            54            55 
      1  -0.813069D+01  0.139588D+02  0.141779D+02  0.193521D+02  0.125711D+01
      2  -0.371019D+01 -0.158560D+02 -0.118672D+02 -0.153202D+02 -0.103108D+02
      3   0.799037D+01 -0.347318D+01  0.175999D+01 -0.525327D+00  0.861430D+01
                56            57            58            59            60 
      1  -0.335937D+01 -0.362996D+00 -0.304879D+01  0.240476D+01 -0.642918D+01
      2   0.510788D+01  0.519921D+01  0.697953D+01 -0.223482D+01  0.648584D+01
      3   0.380018D+01 -0.536794D+01  0.687305D+01 -0.796476D+01  0.685690D+01
                61            62            63            64            65 
      1  -0.102553D+01 -0.109760D+01  0.115790D+00 -0.195439D+01 -0.235926D+01
      2   0.207666D+01  0.128869D+01  0.193338D+01  0.312066D+00  0.376803D+01
      3  -0.663025D+01  0.704310D+01 -0.365408D+01 -0.758005D+01 -0.810218D+01
                66            67            68            69            70 
      1  -0.151217D+01 -0.374441D+01 -0.266160D+01 -0.262807D+01 -0.385086D+00
      2   0.872037D+01  0.494703D+01  0.117653D+02 -0.457653D+01  0.285040D+01
      3  -0.170620D-01 -0.504121D+01  0.712160D+01 -0.867484D+01 -0.107643D+01
                71            72            73            74            75 
      1  -0.400575D+00  0.123998D+01 -0.225164D+01  0.102289D+02  0.162153D+01
      2   0.117411D+00 -0.152544D+01 -0.193529D+02 -0.283790D+00 -0.806209D+00
      3  -0.967212D+01  0.364181D+01  0.166716D+01  0.978453D+01  0.418514D+00
                76            77            78            79            80 
      1   0.198629D+02 -0.414149D+01 -0.960704D+01 -0.361200D+01  0.239299D+01
      2   0.245889D+01 -0.550919D+01 -0.295903D+01 -0.281581D+02  0.137078D+01
      3   0.308154D+02 -0.464445D+01 -0.960860D+01 -0.162875D+01 -0.339649D+01
                81            82            83            84            85 
      1   0.616328D+01  0.233122D+01  0.311620D+01 -0.626305D+01 -0.422549D+01
      2   0.241151D+02  0.119419D+02 -0.131814D+02  0.489957D+01 -0.621785D+01
      3   0.589515D+00  0.143056D+02 -0.230849D+02  0.792808D+01 -0.192853D+01
                86            87            88            89            90 
      1   0.223901D+02 -0.390470D+01 -0.108281D+02  0.237847D+02 -0.237798D+02
      2  -0.563954D+01  0.515820D+01 -0.668581D+01  0.889811D+01 -0.679360D+01
      3  -0.179430D+02  0.549103D+01  0.357704D+01  0.446900D+00  0.391050D+00
                91            92            93            94            95 
      1  -0.846672D+01 -0.286250D+01 -0.115320D+01 -0.322430D+01  0.279869D+00
      2  -0.108435D+02  0.513361D+00  0.282454D+01 -0.123573D+01  0.770955D+00
      3  -0.243190D+01  0.805620D+01  0.760139D+01  0.111890D+02  0.186643D+01
                96            97            98            99           100 
      1  -0.857876D+01  0.102140D+01 -0.195636D+01  0.800658D+00 -0.558944D+00
      2  -0.500782D+01  0.103205D+01 -0.123999D+01  0.203527D+01 -0.102813D+01
      3   0.432328D+01  0.874597D+01  0.391027D+01  0.362224D+01  0.847665D+00
               101           102           103           104           105 
      1  -0.486828D+00  0.417927D+01 -0.227246D+01  0.937630D+01 -0.244928D+01
      2   0.194523D+01  0.895402D+01  0.137890D+01  0.103994D+02  0.195410D+01
      3  -0.113881D+02 -0.327384D+01 -0.840243D+01 -0.351263D+00 -0.805572D+01
               106           107           108           109           110 
      1   0.115498D+01 -0.826224D+00 -0.192460D+01  0.526200D+01  0.814338D+01
      2   0.227436D+01 -0.859244D+00 -0.108102D+01 -0.219029D+02  0.275982D+01
      3  -0.271426D+01 -0.923795D+01 -0.370554D+01  0.136671D+02  0.600751D+01
               111           112           113           114           115 
      1  -0.469726D+01  0.160160D+02 -0.878216D+01 -0.650728D+01 -0.619335D+01
      2   0.239696D+01 -0.359082D+01 -0.372129D+01  0.586058D+01 -0.260807D+02
      3  -0.414886D+01  0.271923D+02 -0.105798D+02 -0.875814D+01  0.226217D+00
               116           117           118           119           120 
      1   0.424148D+01  0.370960D+01  0.150716D+01 -0.163147D+01 -0.195219D+01
      2   0.819547D+01  0.247157D+02  0.212505D+01  0.925206D+00  0.587355D+01
      3  -0.394314D+01 -0.412736D+00  0.751228D+01 -0.548802D+01 -0.306791D+01
               121           122           123           124           125 
      1  -0.251527D+00  0.107552D+01 -0.321930D+00 -0.130391D+01  0.137209D+01
      2  -0.305212D+01 -0.172208D+01  0.328988D+00  0.250146D+01 -0.257375D+00
      3  -0.211696D+01  0.181770D+01  0.231423D+01 -0.881755D+00  0.286933D+01
               126           127           128           129           130 
      1   0.722893D+00  0.718375D+00  0.997501D+00  0.735493D+00 -0.155358D+00
      2  -0.249097D+01 -0.427287D+01  0.145921D+01 -0.221978D+01  0.972595D+00
      3   0.104897D+01 -0.310111D+01  0.327060D+01 -0.197982D+01  0.273018D+01
               131           132           133           134           135 
      1  -0.305607D+01 -0.191709D+01 -0.115446D+00  0.117358D+01  0.926702D+00
      2  -0.661392D+01  0.739505D+01 -0.202077D+01  0.528255D+01 -0.624182D+01
      3  -0.146611D+02  0.690577D+01 -0.697930D+00  0.567755D+01 -0.556380D+01
               136           137           138           139           140 
      1   0.134698D+00  0.976868D+00 -0.156741D+01  0.234032D+01  0.216510D+01
      2   0.617116D+00  0.566806D+00  0.488341D+01 -0.349340D+01  0.717077D+00
      3  -0.183537D+01 -0.535119D+01 -0.993925D+00 -0.196512D+01 -0.762404D+01
               141           142           143           144           145 
      1  -0.125856D+01 -0.930238D+00  0.460788D+00 -0.993058D+00 -0.262072D+01
      2   0.316458D+01  0.155732D+01  0.252152D+01  0.253151D+01  0.307427D+01
      3  -0.370955D+01  0.103656D+01 -0.285035D+01 -0.109076D+01  0.443003D+01
               146           147           148           149           150 
      1   0.126125D+01 -0.119490D+01  0.247258D+01 -0.583453D+01  0.283472D+01
      2   0.246075D+00  0.250918D+01  0.580278D+00  0.422343D+01 -0.692126D+01
      3  -0.455320D+01  0.261111D+01 -0.513228D+01  0.132377D+02 -0.669126D+01
               151           152           153           154           155 
      1  -0.147702D+01  0.410645D+01 -0.307410D+01  0.130924D+01 -0.550196D+00
      2   0.866363D+00 -0.370320D+01  0.553968D+01  0.126367D+01 -0.775872D+00
      3   0.291696D+01 -0.495152D+01  0.557910D+01  0.142061D+00 -0.221647D+01
               156           157           158           159           160 
      1   0.214969D+01  0.222816D+01 -0.292494D+01 -0.349102D+01  0.113855D+01
      2   0.267745D+01  0.243591D+01  0.854606D+00 -0.377864D+01  0.350799D-01
      3  -0.505866D+00  0.116289D+01  0.934443D+01 -0.380886D+01 -0.206024D+01
               161           162           163           164           165 
      1  -0.107777D+01  0.179510D+01  0.519641D+01  0.184418D+01  0.398228D+01
      2  -0.272366D+01  0.188043D+01  0.958206D+00 -0.399246D+00  0.386336D+01
      3  -0.220008D+01  0.106913D+01 -0.918056D+01 -0.625163D+01 -0.500122D+01
               166           167           168           169           170 
      1   0.283617D+01  0.540815D+01  0.410414D+01  0.354893D+01  0.412424D+01
      2  -0.118779D+01  0.244535D+01  0.423659D+01  0.100396D+01  0.158060D+01
      3  -0.683690D+01 -0.856955D+01 -0.518701D+01 -0.451648D+01 -0.341035D+01
               171           172           173           174           175 
      1   0.487899D+01 -0.105194D+01 -0.211098D+01  0.357466D+01  0.685618D+00
      2   0.379500D+01  0.295455D+01 -0.194293D+01  0.426123D+01  0.118728D+01
      3  -0.554981D+01 -0.935679D+01 -0.237250D+01  0.371331D+01  0.102445D+01
               176           177           178           179           180 
      1  -0.115481D+01 -0.194281D+01  0.253063D+01  0.428513D+00 -0.160614D+01
      2  -0.157740D+01 -0.195557D+01  0.156692D+01 -0.960624D+00 -0.200416D+01
      3   0.573978D-01  0.967235D+00  0.193451D+01  0.231366D+01 -0.105107D+01
               181           182           183           184           185 
      1  -0.194226D+01  0.127844D+01 -0.319456D+01  0.398732D+00  0.787205D-03
      2  -0.507076D+01 -0.266186D+01 -0.399041D+01 -0.178468D+01 -0.584060D+01
      3   0.683872D+01  0.653252D+01  0.447270D+01  0.600785D+01  0.108655D+02
               186           187           188           189           190 
      1  -0.372101D+01 -0.977948D+00 -0.613396D+00 -0.316736D+01 -0.862293D+00
      2  -0.499272D+01 -0.379480D+01 -0.417037D+01 -0.535881D+01 -0.181106D+01
      3   0.563751D+01  0.280423D+01  0.494407D+01  0.555871D+01  0.652939D+01
               191           192           193           194           195 
      1   0.370374D+01 -0.261452D+01 -0.467995D+00 -0.146191D+00 -0.542255D+01
      2  -0.206659D+01  0.711888D+00 -0.127204D+01 -0.627800D+00  0.100880D+01
      3   0.262068D+01  0.354198D+01  0.602465D+01  0.285648D+01  0.146483D+01
               196           197           198           199           200 
      1  -0.221184D+01 -0.194516D+01 -0.266192D+01 -0.488319D+01 -0.438839D+00
      2  -0.871513D+00  0.615749D+00  0.662946D+00  0.569196D+01 -0.205808D+01
      3   0.297080D+01 -0.671417D+00  0.109983D+01 -0.143595D+02  0.378956D+01
               201           202           203           204           205 
      1   0.752037D+01 -0.297646D+00 -0.333463D+01 -0.174221D+01  0.428508D+01
      2  -0.200205D+01 -0.793687D+00  0.179531D+01  0.601241D+00 -0.370937D+01
      3   0.696945D+01  0.318633D+01 -0.341121D+01 -0.172972D+01  0.523157D+01
               206           207           208           209           210 
      1  -0.571725D+00 -0.585160D+01  0.156928D+01  0.349913D+01  0.425727D+00
      2   0.868170D+00  0.231537D+01 -0.115269D+01  0.736415D+00  0.118360D+00
      3  -0.224272D+01 -0.555038D+01 -0.293874D+01  0.272120D+01 -0.272690D+01
               211           212           213           214           215 
      1  -0.664921D+00 -0.160539D+01 -0.607741D+01  0.792786D+00 -0.256808D+01
      2   0.157036D+01 -0.147393D+01  0.119136D+01 -0.144178D+01  0.791519D+00
      3   0.607173D+01 -0.643333D+01  0.272601D+01 -0.296880D+01  0.492320D+00
               216           217           218           219           220 
      1   0.256245D+01  0.642795D+01 -0.707259D+00 -0.783811D+01 -0.103196D+01
      2  -0.398316D+00  0.396900D+01  0.577237D+00  0.992864D+00 -0.629643D+00
      3  -0.106690D+01  0.152325D+02 -0.110673D+01 -0.711311D+01 -0.165589D+01
               221           222           223           224           225 
      1   0.405433D+01  0.126662D+01 -0.530265D+01  0.131269D+01  0.631476D+01
      2  -0.231369D+00 -0.300382D+00 -0.189335D+01  0.132430D+00 -0.111509D+00
      3   0.249986D+01  0.105884D+01 -0.572518D+01 -0.427123D-01  0.556803D+01
               226           227           228           229           230 
      1  -0.561045D+00  0.387052D+01  0.767473D+00  0.928247D+00  0.861269D+00
      2  -0.887864D+01  0.373233D+01 -0.375723D+00  0.109990D+01 -0.256291D-01
      3  -0.117261D+02  0.161673D+01 -0.208098D+01  0.188934D+01 -0.583655D+00
               231           232           233           234           235 
      1  -0.185512D+01  0.188724D+01 -0.213055D+01  0.556354D+00  0.176974D+01
      2  -0.712753D+00  0.155841D+01 -0.215918D+01 -0.190989D+00  0.176371D+00
      3  -0.450089D+00  0.199289D+01 -0.654519D+00 -0.392069D+00 -0.305619D+00
               236           237           238           239           240 
      1   0.375954D-01 -0.600023D+00  0.137349D+01  0.898075D-01  0.328207D+01
      2   0.351769D+00 -0.118760D+01  0.863025D-01 -0.216656D+01  0.173375D+01
      3  -0.538533D+00 -0.167170D+01  0.294417D+00 -0.171073D+01 -0.537878D-01
               241           242           243           244           245 
      1   0.270869D+01  0.680527D+00  0.152146D+02 -0.165280D+01  0.251891D+01
      2  -0.153226D+01 -0.151641D+01  0.415597D+01 -0.935530D+01 -0.981970D+00
      3  -0.186603D+01 -0.184032D+01 -0.161868D+01  0.113033D+02 -0.280011D+01
               246           247           248           249           250 
      1  -0.131070D+01  0.790848D+00 -0.198110D+01 -0.984211D+00 -0.149828D+01
      2   0.429876D+00  0.262287D+01  0.126092D+01  0.126945D+01  0.306226D+01
      3   0.177905D+01 -0.254684D+01  0.938592D+00 -0.121612D+01 -0.209007D+01
               251           252           253           254           255 
      1  -0.591055D+00 -0.562981D+00 -0.104619D+01 -0.140415D-01  0.101031D+01
      2   0.175282D+01  0.146257D-01  0.733979D-01 -0.121699D+01 -0.232255D+01
      3   0.160754D+00  0.404424D+00  0.439364D+00 -0.533854D-02  0.151883D+01
               256           257           258           259           260 
      1   0.130669D+01 -0.137016D+01  0.214889D+01 -0.239409D+01  0.231585D+01
      2  -0.146058D+01 -0.126599D+01 -0.215516D+01  0.108613D+00  0.119424D+01
      3   0.834580D+00  0.159225D+01 -0.679451D+00  0.101162D+01 -0.242057D+01
               261           262           263           264           265 
      1  -0.124588D+02 -0.298362D+01 -0.301384D+01  0.653397D+00 -0.387888D+01
      2   0.963842D+01  0.356401D+01  0.210759D+01  0.186654D+01  0.598045D+01
      3   0.162895D+01 -0.491475D+01 -0.579218D+01  0.695148D+00 -0.558694D+01
               266           267           268           269           270 
      1  -0.488657D+01  0.483557D+00 -0.911772D+00  0.738598D-01 -0.433933D+00
      2   0.660894D+00 -0.556301D+00  0.368980D+01  0.663019D+00 -0.355203D+00
      3  -0.739903D+01  0.204312D+01 -0.157042D+01 -0.140745D+01 -0.416375D+00
               271           272           273           274           275 
      1  -0.146499D+01  0.102611D+01  0.248563D+00  0.146979D+00 -0.117612D+01
      2   0.100781D+01 -0.299819D+00 -0.379617D+01 -0.128956D+01 -0.157635D+01
      3  -0.124591D+01  0.238761D+00  0.796920D+00  0.108601D+01 -0.765376D+00
               276           277           278           279           280 
      1   0.701395D+00 -0.107465D+00  0.315603D+01 -0.401795D+01 -0.187020D+00
      2   0.886628D+00  0.933373D+00  0.130321D+01 -0.152468D+02  0.396739D+01
      3   0.147230D+01 -0.666410D+00  0.253198D+01 -0.162437D+01  0.588868D+01
               281           282           283           284           285 
      1  -0.601701D+01  0.850491D+00 -0.196242D+01 -0.500493D+01 -0.167610D+01
      2   0.323884D+01 -0.261771D+00  0.291006D+01  0.324893D+01 -0.922823D+00
      3   0.568999D+01 -0.191141D+01  0.592003D+01  0.639527D+01 -0.946545D+00
               286           287           288           289           290 
      1  -0.158574D+00 -0.388361D+01  0.295151D+00  0.112848D+01  0.161182D+01
      2  -0.182269D+00  0.402291D+00  0.484318D+00  0.149696D+01  0.586513D-01
      3   0.122144D+01  0.176301D+01  0.412779D+00  0.949114D+00 -0.111793D+01
               291           292           293           294           295 
      1  -0.129555D+01  0.720510D+00 -0.936244D+00  0.363072D+01 -0.754386D+00
      2  -0.838820D+00 -0.949172D+00  0.121138D+01  0.135931D+00 -0.326896D+01
      3  -0.135997D+01 -0.269338D+00  0.108069D+01 -0.979168D+00 -0.260026D+01
               296           297           298           299           300 
      1  -0.105911D+01  0.145834D+02 -0.115543D+01 -0.385506D+01 -0.127979D+01
      2  -0.460146D+00  0.598251D+01  0.231950D+01 -0.121309D+01  0.625951D+00
      3   0.319134D+00  0.164618D+01 -0.186890D+01  0.380357D+01  0.143527D+01
               301           302           303           304           305 
      1  -0.294420D-01  0.870776D+01 -0.751690D+00 -0.137956D+01 -0.344444D+01
      2  -0.245561D+01  0.241368D+01  0.136038D+01  0.197727D+00  0.111996D+01
      3   0.405521D+01 -0.104464D+02 -0.163256D+01 -0.415142D+00  0.204996D+01
               306           307           308           309           310 
      1  -0.984295D-01  0.672168D+00  0.172877D+01  0.205779D+01  0.129846D+01
      2   0.560279D+00  0.166292D+01 -0.103374D+01 -0.174744D+01  0.249152D+00
      3  -0.400946D+00 -0.145203D+01 -0.951233D+00  0.884967D+00 -0.103486D+00
               311           312           313           314           315 
      1   0.133489D+00  0.272838D+01 -0.814424D+00 -0.487342D+00 -0.111961D+02
      2   0.916100D+00 -0.945029D+00 -0.275329D+01  0.200715D+01  0.111034D+02
      3  -0.532323D+00 -0.140465D+01  0.252209D+01 -0.694954D+00 -0.162055D+01
               316           317           318           319           320 
      1   0.793929D+00 -0.201241D+01  0.404938D+00 -0.427786D+01  0.799364D+01
      2  -0.383777D-01 -0.127123D+01  0.196066D+01 -0.457539D+01  0.935100D+00
      3   0.116719D+01 -0.328511D+01  0.178228D+00 -0.303337D+01  0.110223D+02
               321           322           323           324           325 
      1   0.586072D+00  0.203619D+01 -0.103788D+01  0.252610D+00  0.218950D+01
      2  -0.423781D+00  0.260423D+01 -0.174144D+01 -0.506114D+00  0.432653D+00
      3   0.217881D+01  0.933147D+00 -0.189536D+01  0.380982D+00  0.166196D+01
               326           327           328           329           330 
      1   0.348357D+00 -0.143744D+01 -0.921501D-01  0.761945D-01  0.920017D+00
      2  -0.110193D+01 -0.358319D+01  0.168500D+00 -0.190657D+01  0.295833D+00
      3  -0.131561D+00 -0.166916D+00  0.699972D+00  0.374065D+00  0.165978D+01
               331           332           333 
      1   0.134224D+01  0.206689D+01 -0.211545D+01
      2  -0.164953D+00 -0.253575D+01 -0.156267D+02
      3   0.157799D+01  0.209309D+01  0.162749D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.673922D+01 -0.138662D+02  0.753511D+01 -0.967796D+01  0.252675D+02
      2   0.112243D+02  0.247655D+02 -0.825621D+01  0.182014D+02 -0.367944D+02
      3  -0.448506D+01 -0.108993D+02  0.721097D+00 -0.852339D+01  0.115270D+02
      4  -0.954711D+01  0.640850D+01  0.123113D+02  0.650472D+01  0.130497D+02
      5   0.788701D+01  0.173278D+00 -0.758235D+01 -0.299650D+01 -0.313900D+01
      6   0.137077D+02 -0.891999D+01 -0.553359D+01 -0.402401D+01  0.233407D+02
                 6             7             8             9            10 
      1  -0.122235D+02  0.584557D+01 -0.920180D+01 -0.139373D+01  0.113863D+02
      2   0.228496D+02 -0.586052D+01  0.179103D+02 -0.219404D+01 -0.160746D+02
      3  -0.106260D+02  0.149472D-01 -0.870848D+01  0.358777D+01  0.468835D+01
      4  -0.194788D+00  0.104433D+02 -0.149500D+01 -0.395816D+01  0.161890D+01
      5  -0.842637D+00 -0.629604D+01 -0.746144D-01  0.371846D+00 -0.787334D+00
      6  -0.590945D+01 -0.366637D+01 -0.659126D+01 -0.523450D+01 -0.209535D+02
                11            12            13            14            15 
      1   0.109401D+02 -0.550651D+00  0.838331D+01 -0.180436D+01  0.781331D+01
      2  -0.246228D+02 -0.417850D+01 -0.197106D+02 -0.441646D+00 -0.173731D+02
      3   0.136827D+02  0.472916D+01  0.113273D+02  0.224601D+01  0.955976D+01
      4  -0.226205D+02 -0.179731D+02 -0.187319D+02 -0.195552D+02 -0.610241D+01
      5  -0.812119D+01 -0.507428D+01 -0.331101D+01 -0.898841D+01  0.530120D+00
      6  -0.790495D+01  0.521045D+01 -0.460205D+01 -0.151385D+02 -0.827569D+01
                16            17            18            19            20 
      1  -0.131994D+01  0.510139D+01  0.136968D+01 -0.162036D+02 -0.422250D+01
      2  -0.211916D+01 -0.131617D+02 -0.502046D+01  0.105803D+02  0.665965D+01
      3   0.343909D+01  0.806036D+01  0.365078D+01  0.562330D+01 -0.243715D+01
      4  -0.148741D+02 -0.562068D+01  0.241003D+01 -0.690826D+01  0.533962D+01
      5  -0.505567D+01 -0.697137D+00  0.229317D+01 -0.379210D+01  0.245502D+01
      6   0.289939D+01 -0.802061D+01  0.445861D+01  0.462225D+01  0.264319D+01
                21            22            23            24            25 
      1  -0.170993D+01 -0.833643D+01 -0.877464D+01 -0.968948D+01 -0.440331D+00
      2  -0.366991D+00  0.129579D+02  0.698014D+01  0.115074D+02  0.104822D+01
      3   0.207692D+01 -0.462143D+01  0.179450D+01 -0.181793D+01 -0.607887D+00
      4   0.219011D+01  0.746675D+01  0.875517D+01  0.498707D+01  0.725450D+00
      5   0.437679D+01  0.146240D+01  0.852367D+01  0.164635D+01  0.361555D+01
      6   0.220963D+01  0.395676D+01  0.764132D+01  0.669915D+01  0.348120D-01
                26            27            28            29            30 
      1  -0.520479D+01  0.380562D+01 -0.891609D+01  0.990489D-01 -0.550768D+01
      2   0.507347D+01  0.107188D+02  0.289491D+01 -0.726902D-01  0.552963D+01
      3   0.131318D+00 -0.145244D+02  0.602118D+01 -0.263588D-01 -0.219498D-01
      4   0.359957D+01  0.315913D-01  0.559857D-01 -0.588564D+01  0.369102D+01
      5   0.481052D+00 -0.382018D+01 -0.365351D+01  0.240756D+01 -0.323684D+01
      6   0.576315D+01 -0.636263D+01  0.237391D+01  0.369193D+01 -0.224050D-01
                31            32            33            34            35 
      1   0.228610D-01  0.285746D+01  0.369608D+01 -0.781867D+01  0.537043D+01
      2   0.320868D-02 -0.891012D+01 -0.369868D+01  0.783779D+01 -0.536798D+01
      3  -0.260697D-01  0.605266D+01  0.259678D-02 -0.191264D-01 -0.244366D-02
      4  -0.602565D+01  0.666349D-01  0.554244D+01  0.539982D+01  0.775446D+01
      5   0.240909D+01  0.368849D+01  0.224003D-01  0.351672D+01 -0.279779D-01
      6   0.363230D+01 -0.245973D+01 -0.322140D+01 -0.798390D-02  0.351056D+01
                36            37            38            39            40 
      1   0.496502D+00 -0.217561D+01  0.194740D+01  0.110173D+01  0.617562D+01
      2   0.500002D+00 -0.537182D+01 -0.201944D+01 -0.371007D+01 -0.842922D+01
      3  -0.996505D+00  0.754743D+01  0.720461D-01  0.260834D+01  0.225360D+01
      4   0.689047D-02  0.112936D+02 -0.505367D+01 -0.249645D+01 -0.719874D+01
      5  -0.577207D-01 -0.418288D+01  0.256925D+01  0.332136D+01  0.396105D+01
      6  -0.847592D-03 -0.118375D+01 -0.495886D+00 -0.742204D+00  0.428715D+00
                41            42            43            44            45 
      1  -0.176483D+02  0.104340D+02  0.174650D+01  0.591748D+01  0.489114D+01
      2   0.177161D+02 -0.112922D+02 -0.117178D+01 -0.607697D+01  0.960813D+01
      3  -0.678529D-01  0.858232D+00 -0.574722D+00  0.159492D+00 -0.144993D+02
      4   0.232566D+01 -0.325765D+01 -0.511405D+00 -0.109171D+01  0.237384D+01
      5   0.380923D+01 -0.249218D+00  0.376269D+01  0.405674D+00 -0.108701D+01
      6  -0.117054D+02  0.761470D+01  0.793093D+00  0.546866D+01  0.742382D+01
                46            47            48            49            50 
      1   0.240768D+01  0.938442D+01  0.992548D+01  0.394362D+01  0.137788D+02
      2  -0.524967D+01 -0.442732D+01 -0.785404D+01 -0.105798D+01 -0.183858D+02
      3   0.284199D+01 -0.495710D+01 -0.207144D+01 -0.288564D+01  0.460701D+01
      4   0.806242D+01  0.113792D+02  0.713984D+01  0.801428D+01 -0.874828D+00
      5   0.566338D+01  0.372269D+01  0.607467D+01  0.235959D+01  0.582861D+01
      6   0.859369D+01  0.346429D+01  0.181584D+01  0.428325D+01 -0.245309D+01
                51            52            53            54            55 
      1   0.309244D+00  0.364406D+01  0.132118D+01  0.105345D+02  0.879162D+01
      2  -0.216923D+01 -0.390924D+01 -0.775223D+00  0.396325D+01 -0.767688D+01
      3   0.185999D+01  0.265175D+00 -0.545958D+00 -0.144977D+02 -0.111474D+01
      4   0.319938D+01  0.456062D+01  0.146266D+01  0.895870D+00 -0.120927D+02
      5   0.238355D+01  0.558993D+01  0.291233D+00 -0.588126D+01 -0.124734D+02
      6   0.483921D+01  0.733307D+00  0.369093D+01 -0.463109D+01 -0.907220D+01
                56            57            58            59            60 
      1  -0.110991D+02 -0.153136D+02 -0.152806D+02 -0.199365D+02 -0.147381D+01
      2   0.559690D+00  0.644906D+01  0.216421D+01  0.119914D+02 -0.445472D+01
      3   0.105394D+02  0.886450D+01  0.131164D+02  0.794511D+01  0.592853D+01
      4  -0.230348D+02 -0.668768D+01 -0.279494D+02 -0.863735D+01 -0.188385D+02
      5  -0.298189D+01 -0.883066D+01 -0.579134D+01 -0.219484D+02  0.468801D+01
      6  -0.460973D+01  0.534324D-01 -0.978707D+01 -0.534128D+01 -0.437427D+01
                61            62            63            64            65 
      1  -0.116354D+02  0.291662D+00 -0.542854D+01 -0.431895D+02  0.856734D+01
      2   0.402750D+01 -0.474164D+01  0.186423D+01  0.294400D+02 -0.247297D+01
      3   0.760786D+01  0.444998D+01  0.356431D+01  0.137495D+02 -0.609436D+01
      4  -0.578660D+01 -0.153333D+02  0.161620D+01  0.157001D+01  0.109408D+02
      5  -0.817828D+01  0.256306D+01  0.417693D+01  0.250259D+02 -0.195650D+01
      6  -0.106504D+01 -0.480302D+01  0.287347D+01  0.704275D+00 -0.464241D+01
                66            67            68            69            70 
      1   0.235597D+02  0.149108D+02  0.175576D+02 -0.815668D+01  0.190191D+02
      2  -0.129499D+02 -0.643510D+01 -0.108166D+02  0.881934D+01 -0.102873D+02
      3  -0.106099D+02 -0.847566D+01 -0.674099D+01 -0.662655D+00 -0.873188D+01
      4   0.302800D+01  0.123520D+02 -0.397518D+01  0.102581D+02  0.100931D+01
      5  -0.518263D+01 -0.721180D+01  0.110417D+02 -0.520367D+01 -0.621341D+01
      6  -0.521498D+00 -0.221552D+01  0.883825D+01 -0.834937D+01 -0.733292D-01
                71            72            73            74            75 
      1  -0.595930D+01 -0.125413D+01  0.171667D+02 -0.291392D+01 -0.966779D+01
      2   0.708036D+01 -0.238409D+01 -0.168732D+02  0.169270D+01  0.914362D+01
      3  -0.112106D+01  0.363822D+01 -0.293451D+00  0.122122D+01  0.524171D+00
      4   0.877771D+01 -0.394429D+01  0.883055D+01 -0.910484D+01 -0.554778D+01
      5  -0.364439D+01 -0.519610D+01 -0.119214D+02 -0.165059D+01  0.771066D+01
      6  -0.678257D+01 -0.280760D+00  0.131372D+01  0.471534D+01  0.325792D+00
                76            77            78            79            80 
      1   0.252121D+01 -0.879866D+01 -0.419580D+01 -0.562942D+01 -0.176862D+01
      2  -0.160340D+01  0.105724D+01  0.150000D+01  0.531982D+01  0.231692D+01
      3  -0.917805D+00  0.774141D+01  0.269580D+01  0.309605D+00 -0.548308D+00
      4  -0.570659D+01  0.857174D+01 -0.376163D+01 -0.248174D+01 -0.122648D+01
      5  -0.216391D+01 -0.910933D+00 -0.229502D+00  0.540976D+01  0.100635D+01
      6   0.324861D+01 -0.332445D+01  0.326871D+01  0.609228D+00  0.397983D+01
                81            82            83            84            85 
      1   0.899207D+01 -0.122400D+01  0.522801D+01  0.294208D+01  0.701179D+01
      2   0.553714D+01 -0.460236D+01 -0.979225D+01 -0.336127D+00 -0.938219D+01
      3  -0.145292D+02  0.582636D+01  0.456425D+01 -0.260595D+01  0.237039D+01
      4   0.287745D+01 -0.157327D+01  0.923593D+01 -0.929619D+01  0.373237D+01
      5   0.740317D+01  0.160114D+01 -0.218820D+00  0.443612D+01  0.136001D+01
      6  -0.138524D+00 -0.528416D+01  0.686431D+01 -0.167841D+01  0.706663D+01
                86            87            88            89            90 
      1   0.651920D+01  0.127516D+01 -0.547899D+00  0.298085D+00  0.896482D+01
      2  -0.806087D+01 -0.413475D+00  0.101272D+00 -0.813736D+00  0.557663D+01
      3   0.154168D+01 -0.861687D+00  0.446627D+00  0.515651D+00 -0.145414D+02
      4  -0.177902D+02  0.730540D+01 -0.492507D+01  0.395985D+01 -0.299201D+01
      5   0.666296D+01 -0.222327D+01  0.500363D+01 -0.810327D+00 -0.359635D+01
      6  -0.497691D+01  0.658272D+01 -0.127334D+01  0.438602D+01  0.651679D+01
                91            92            93            94            95 
      1   0.653711D+01 -0.132883D+02 -0.111327D+02 -0.136038D+02 -0.739619D+00
      2   0.156780D+01  0.172585D+02  0.530890D+01  0.200523D+02 -0.142639D+02
      3  -0.810491D+01 -0.397025D+01  0.582375D+01 -0.644853D+01  0.150035D+02
      4  -0.114540D+02 -0.859239D+01  0.670087D+01 -0.139747D+02  0.317027D+02
      5  -0.855986D+01 -0.300458D+01 -0.998846D+01 -0.242067D+01 -0.177764D+02
      6   0.728109D+01 -0.287824D+01  0.228924D+01 -0.882407D+01  0.192995D+02
                96            97            98            99           100 
      1  -0.777519D+01 -0.862765D+01 -0.752063D+01 -0.554555D+01 -0.273594D+02
      2   0.166907D+02  0.342252D+01  0.144638D+02  0.182669D+01  0.113160D+02
      3  -0.891551D+01  0.520513D+01 -0.694316D+01  0.371886D+01  0.160434D+02
      4  -0.161965D+02  0.528482D+01 -0.119202D+02  0.149244D+01  0.299762D+02
      5  -0.235931D+01 -0.812416D+01 -0.111610D+01  0.304181D+01  0.225240D+02
      6  -0.346436D+01  0.247218D+01 -0.471809D+01 -0.450543D+01 -0.139887D+02
               101           102           103           104           105 
      1   0.188438D+02  0.197835D+02  0.149654D+02  0.977808D+01  0.586351D+01
      2  -0.154879D+02 -0.102548D+02 -0.140391D+02 -0.900982D+00 -0.105259D+02
      3  -0.335595D+01 -0.952871D+01 -0.926216D+00 -0.887710D+01  0.466239D+01
      4  -0.378663D+01 -0.133423D+02  0.947994D+00 -0.123843D+02  0.694783D+01
      5  -0.644510D+01 -0.350998D+01 -0.688710D+00  0.713496D+01  0.317806D+01
      6  -0.439447D+01 -0.152002D+01 -0.415163D+01 -0.867751D+01 -0.987906D+01
               106           107           108           109           110 
      1   0.168074D+02  0.411932D+01  0.141015D+01 -0.486823D+00 -0.951013D+01
      2  -0.923439D+01 -0.839904D+01 -0.506629D+01 -0.289579D+00  0.783240D+01
      3  -0.757306D+01  0.427972D+01  0.365613D+01  0.776402D+00  0.167773D+01
      4  -0.945100D+01  0.552753D+01  0.233210D+01 -0.197150D+02 -0.915935D+00
      5  -0.488772D+01  0.287422D+01 -0.490617D+01 -0.740527D+01  0.655399D+01
      6  -0.753666D+00 -0.791947D+01  0.245625D+01  0.543209D+01  0.288596D+01
               111           112           113           114           115 
      1  -0.245711D+01 -0.112970D+02 -0.705321D+01  0.183091D+01 -0.190925D+01
      2   0.302698D+01  0.752300D+01  0.357283D+00  0.886438D+00  0.150174D+01
      3  -0.569872D+00  0.377398D+01  0.669593D+01 -0.271735D+01  0.407503D+00
      4   0.794894D+01  0.444672D+01 -0.115584D+01 -0.837294D+01  0.412654D+01
      5   0.699286D+01  0.653479D+01 -0.362571D+01 -0.134225D+01  0.455007D+01
      6  -0.187250D+01  0.134431D+01  0.135995D+01  0.397333D+01 -0.834879D+00
               116           117           118           119           120 
      1   0.112237D+01  0.636014D+01  0.788101D+02 -0.135931D+01 -0.200812D+02
      2  -0.161264D+01  0.817567D+01 -0.452573D+02  0.180892D+01  0.137466D+02
      3   0.490272D+00 -0.145358D+02 -0.335528D+02 -0.449608D+00  0.633464D+01
      4  -0.402841D+01 -0.327453D+01  0.934282D+01  0.813793D+01 -0.212192D+01
      5  -0.131863D+01  0.702132D+01 -0.314477D+02  0.564439D+00  0.183535D+02
      6   0.471653D+01 -0.279399D+01 -0.338547D+01 -0.172131D+01  0.289108D+01
               121           122           123           124           125 
      1  -0.132488D+02  0.706776D+01  0.467815D+01 -0.166145D+02  0.109533D+01
      2   0.915959D+01 -0.379913D+01 -0.443809D+01  0.133517D+02 -0.176541D+01
      3   0.408918D+01 -0.326863D+01 -0.240060D+00  0.326280D+01  0.670086D+00
      4   0.922847D+01 -0.963952D+00 -0.433552D+01 -0.241476D+01 -0.343638D+01
      5   0.583741D+01 -0.556903D+01 -0.279110D+01  0.214871D+02  0.106185D+00
      6  -0.241425D+01 -0.837173D+00  0.265869D+01  0.299037D+01  0.269728D+01
               126           127           128           129           130 
      1   0.127434D+02  0.760644D+00  0.532393D+01 -0.713011D+01  0.476554D+01
      2  -0.105325D+02  0.363197D+00 -0.373537D+01  0.355619D+01 -0.161529D+01
      3  -0.221096D+01 -0.112384D+01 -0.158856D+01  0.357392D+01 -0.315025D+01
      4   0.196034D+01  0.205513D+01  0.721317D-01 -0.122945D+01  0.711184D+01
      5  -0.128857D+02 -0.463752D+01 -0.744096D+00  0.518475D+00 -0.343374D+01
      6  -0.151319D+01 -0.336067D+01  0.272689D+01 -0.197772D+01 -0.197334D+01
               131           132           133           134           135 
      1  -0.131709D+02  0.734069D+01 -0.628733D+01  0.531870D+01 -0.654118D+01
      2   0.179750D+02 -0.607883D+01  0.346789D+01 -0.329959D+01  0.189247D+01
      3  -0.480410D+01 -0.126186D+01  0.281945D+01 -0.201910D+01  0.464871D+01
      4   0.221960D+02 -0.102497D+02 -0.434136D+01 -0.863639D+01  0.784163D+01
      5  -0.102574D+02  0.117720D+02  0.487997D+01  0.833593D+01 -0.103971D+02
      6  -0.165899D+02  0.125532D+02  0.137984D+01  0.110178D+02 -0.107717D+02
               136           137           138           139           140 
      1   0.323486D+02  0.157804D+02  0.932978D+01  0.197345D+02  0.112194D+02
      2  -0.119601D+02 -0.301047D+01 -0.446887D+01 -0.226202D+01  0.507251D+01
      3  -0.203884D+02 -0.127700D+02 -0.486091D+01 -0.174725D+02 -0.162919D+02
      4   0.299032D+02  0.223541D+02  0.908032D+01  0.321838D+02  0.330025D+02
      5   0.174456D+02  0.902926D+01  0.124902D+02  0.129104D+02  0.143796D+02
      6   0.787113D+01  0.561572D+01  0.467442D+01  0.944305D+01  0.113178D+02
               141           142           143           144           145 
      1   0.354347D+01  0.832045D+01  0.221012D+01  0.599030D+01  0.142619D+02
      2   0.519706D+00 -0.524104D+01 -0.701414D+00 -0.380138D+01 -0.957249D+01
      3  -0.406317D+01 -0.307942D+01 -0.150871D+01 -0.218892D+01 -0.468939D+01
      4   0.140189D+02  0.972459D+01  0.103527D+02  0.107881D+02 -0.520253D+01
      5   0.103777D+02  0.160703D+02  0.101721D+02  0.113077D+02  0.117602D+02
      6   0.842941D+01  0.726733D+01  0.821885D+01  0.672603D+01 -0.892834D+00
               146           147           148           149           150 
      1  -0.612986D+01  0.810110D+01 -0.134126D+02  0.802110D+01 -0.328684D+01
      2   0.451360D+01 -0.598930D+01  0.102287D+02 -0.685784D+01  0.648058D+01
      3   0.161627D+01 -0.211180D+01  0.318385D+01 -0.116326D+01 -0.319375D+01
      4   0.757595D+01 -0.166739D+01  0.107425D+02 -0.158723D+02  0.102119D+02
      5  -0.386668D+01  0.971119D+01 -0.886195D+01  0.122424D+02 -0.139189D+02
      6   0.197007D+01 -0.193102D+00  0.408487D+01 -0.579235D+01  0.336392D+01
               151           152           153           154           155 
      1   0.938394D+01 -0.761781D+00  0.416909D+01  0.528613D+01 -0.486539D+01
      2  -0.831066D+01  0.408849D+01 -0.882254D+01  0.383517D+01 -0.495831D+01
      3  -0.107328D+01 -0.332671D+01  0.465345D+01 -0.912130D+01  0.982370D+01
      4  -0.103176D+01  0.727413D+01 -0.612133D+01 -0.164699D+02  0.187308D+02
      5   0.118925D+02 -0.772087D+01  0.148475D+02  0.736814D+01 -0.554102D+01
      6  -0.756666D+00  0.404918D+01 -0.221200D+01 -0.637792D+01  0.465542D+01
               156           157           158           159           160 
      1   0.343984D+01 -0.138130D+01 -0.135433D+02  0.594162D+01  0.162472D+01
      2  -0.511431D+00 -0.131535D+02  0.411431D+02 -0.115621D+02  0.591820D+00
      3  -0.292841D+01  0.145348D+02 -0.275998D+02  0.562045D+01 -0.221654D+01
      4  -0.623112D+01  0.268729D+02 -0.459932D+02  0.145340D+02 -0.750900D+01
      5   0.657296D+01 -0.771031D+01  0.147483D+02 -0.967552D+01  0.872722D+01
      6  -0.389792D+01  0.973927D+01 -0.235910D+02  0.144006D+02 -0.744871D+01
               161           162           163           164           165 
      1   0.527651D+01 -0.303056D+01  0.246082D+02  0.681812D+01  0.100890D+02
      2  -0.776205D+01  0.523449D+01 -0.186970D+02 -0.717896D+01 -0.944229D+01
      3   0.248554D+01 -0.220393D+01 -0.591122D+01  0.360840D+00 -0.646717D+00
      4   0.120336D+02 -0.110483D+02 -0.291214D+01  0.527814D+01 -0.199311D+01
      5  -0.103519D+02  0.775258D+01  0.165063D+02  0.313959D+01  0.138702D+02
      6   0.154438D+02 -0.104050D+02 -0.272497D+01  0.173152D+01 -0.417565D+01
               166           167           168           169           170 
      1   0.144944D+02  0.701517D+01  0.566664D+01  0.869911D+01  0.190978D+01
      2  -0.132664D+02 -0.704249D+01 -0.943612D+01 -0.909136D+01 -0.535154D+01
      3  -0.122801D+01  0.273141D-01  0.376948D+01  0.392248D+00  0.344176D+01
      4   0.290429D+01  0.415007D+01  0.491013D+01 -0.366845D+01  0.521142D+01
      5   0.860061D+01  0.821059D+01  0.973124D+01  0.136423D+02  0.368249D+01
      6   0.178172D+01 -0.185829D+00 -0.753836D+00 -0.326200D+01  0.220381D+01
               171           172           173           174           175 
      1   0.658679D+01  0.553192D+02 -0.136817D+02 -0.150523D+02 -0.382456D+01
      2  -0.111758D+02 -0.248629D+02  0.198486D+01  0.910975D+01 -0.332727D+01
      3   0.458897D+01 -0.304562D+02  0.116969D+02  0.594256D+01  0.715184D+01
      4  -0.285640D+00 -0.424111D+02  0.208879D+02  0.124776D+02  0.148305D+02
      5   0.143645D+02 -0.270576D+02  0.801544D+01  0.160229D+02  0.283038D+01
      6  -0.349340D+01  0.128709D+02 -0.549712D+01 -0.842074D+01 -0.408703D+01
               176           177           178           179           180 
      1   0.497073D+01 -0.745778D+00 -0.109107D+02  0.112234D+01  0.795859D+01
      2   0.144540D+01  0.292269D+01  0.817935D+01  0.717468D+00 -0.574242D+01
      3  -0.641613D+01 -0.217691D+01  0.273137D+01 -0.183981D+01 -0.221617D+01
      4  -0.112286D+02 -0.495921D+01  0.107540D+02 -0.596380D+01 -0.959037D+01
      5  -0.549956D+01 -0.270967D+01  0.176362D+02 -0.627059D+01 -0.112927D+02
      6   0.516604D+01  0.497311D+01 -0.914878D+01  0.652295D+01  0.629152D+01
               181           182           183           184           185 
      1  -0.511371D+01 -0.119405D+02 -0.919652D+01 -0.674059D+01 -0.198995D+02
      2   0.515640D+01  0.123305D+02  0.539899D+01  0.555370D+01  0.258776D+02
      3  -0.426956D-01 -0.389979D+00  0.379752D+01  0.118689D+01 -0.597807D+01
      4   0.156614D+01  0.635116D+00  0.330975D+01  0.470370D+01 -0.804265D+01
      5  -0.158938D+01  0.107495D+01 -0.124581D+01  0.177991D+01 -0.458636D+01
      6   0.665971D+01  0.747904D+01  0.772360D+01  0.208118D+01  0.174862D+02
               186           187           188           189           190 
      1  -0.987771D+01 -0.550316D+01 -0.863976D+01 -0.107963D+02 -0.125359D+01
      2   0.100669D+02  0.211567D+01  0.785795D+01  0.620033D+01  0.136583D+02
      3  -0.189170D+00  0.338749D+01  0.781818D+00  0.459599D+01 -0.124047D+02
      4  -0.408702D+01  0.486319D+01 -0.534488D+01 -0.257008D+01  0.247132D+02
      5  -0.612881D+01  0.233917D+01 -0.475011D+01 -0.538296D+01  0.769105D+01
      6   0.142994D+02  0.218493D+01  0.135181D+02  0.138095D+02  0.126954D+02
               191           192           193           194           195 
      1  -0.782371D+01 -0.218177D+01 -0.614397D+01 -0.212258D+02 -0.696714D+01
      2   0.241680D+02  0.557135D+01  0.178897D+02  0.455356D+02  0.123355D+02
      3  -0.163443D+02 -0.338958D+01 -0.117457D+02 -0.243097D+02 -0.536839D+01
      4   0.283921D+02  0.121146D+02  0.194294D+02  0.294752D+02  0.864977D+01
      5   0.796221D+01  0.654632D+01  0.469289D+01  0.716792D+01  0.388988D+01
      6   0.132780D+02  0.958812D+01  0.895627D+01  0.214452D+02  0.143910D+02
               196           197           198           199           200 
      1  -0.233235D+01 -0.793871D+01 -0.644633D+01 -0.377313D+01  0.759398D+01
      2   0.344349D+01  0.112194D+02  0.862854D+01  0.561294D+01 -0.111566D+02
      3  -0.111115D+01 -0.328065D+01 -0.218221D+01 -0.183981D+01  0.356266D+01
      4   0.858617D+01  0.887139D+01  0.917707D+01 -0.199845D+02  0.118487D+02
      5   0.610730D+01  0.596058D+01  0.520857D+01 -0.826493D+01  0.443446D+01
      6   0.889020D+01  0.182222D+02  0.121345D+02  0.129096D+02 -0.811581D+01
               201           202           203           204           205 
      1   0.434833D+01  0.294483D+01 -0.656546D+01 -0.473975D+01  0.309119D+01
      2  -0.146687D+01 -0.495742D+01  0.106651D+02  0.718226D+01  0.606981D-01
      3  -0.288146D+01  0.201260D+01 -0.409965D+01 -0.244251D+01 -0.315188D+01
      4   0.114737D+02  0.706703D+01 -0.546603D+01 -0.197445D+01  0.795964D+01
      5   0.530107D+01  0.166882D+01 -0.157289D+01 -0.775912D+00  0.525861D+01
      6  -0.145287D+02 -0.343034D+01  0.992793D+01  0.778281D+01 -0.854654D+01
               206           207           208           209           210 
      1  -0.728206D+01 -0.702422D+01 -0.489203D+01  0.118638D+02 -0.496270D+01
      2   0.867173D+01  0.238953D+01  0.914856D+01 -0.199006D+02  0.604163D+01
      3  -0.138967D+01  0.463469D+01 -0.425653D+01  0.803686D+01 -0.107893D+01
      4  -0.225190D+01 -0.755110D+01 -0.507253D+01  0.120832D+02 -0.566124D+01
      5  -0.160394D+01 -0.412787D+01  0.559327D+00 -0.318631D+01  0.293213D+01
      6   0.106369D+02  0.143871D+02 -0.687214D+01  0.881843D+01 -0.484808D+01
               211           212           213           214           215 
      1   0.500609D+01 -0.440710D+02  0.131701D+02 -0.257286D+01  0.132041D+02
      2  -0.843541D+01  0.766575D+02 -0.194152D+02  0.232285D+01 -0.165142D+02
      3   0.342932D+01 -0.325865D+02  0.624504D+01  0.250006D+00  0.331010D+01
      4   0.850590D+01 -0.440015D+01  0.160649D+01 -0.386933D+01  0.104812D+01
      5  -0.179298D+01  0.105034D+00  0.861733D+00  0.261805D+01  0.504729D+00
      6   0.359265D+01 -0.303890D+02  0.180869D+02 -0.239252D+01  0.215337D+02
               216           217           218           219           220 
      1  -0.106303D+02  0.123585D+02 -0.166554D+01 -0.366368D+01 -0.195429D+01
      2   0.128368D+02 -0.823008D+01  0.520506D+01  0.538261D+01  0.393185D+01
      3  -0.220648D+01 -0.412839D+01 -0.353952D+01 -0.171893D+01 -0.197755D+01
      4  -0.113849D+01  0.244094D+02  0.900735D+01 -0.115600D+02  0.180847D+01
      5   0.192839D+00 -0.150509D+02 -0.313440D+01  0.110801D+02  0.119066D+01
      6  -0.129538D+02 -0.116954D+02 -0.451109D+01  0.131654D+02 -0.123226D+01
               221           222           223           224           225 
      1  -0.879265D+00  0.324579D+01 -0.147213D+01  0.427055D+01 -0.292371D+00
      2   0.267734D+01 -0.663747D+01  0.383750D+01 -0.680458D+01 -0.434201D+01
      3  -0.179808D+01  0.339168D+01 -0.236537D+01  0.253404D+01  0.463438D+01
      4   0.294991D+01 -0.129723D+01 -0.898569D+01 -0.414723D+01  0.865886D+01
      5  -0.274358D+01 -0.592680D+00  0.964518D+01  0.201088D+01 -0.931352D+01
      6  -0.568283D+01  0.198551D+01  0.896358D+01  0.625363D+01 -0.117123D+02
               226           227           228           229           230 
      1   0.121458D+02  0.171069D+01 -0.144440D+01 -0.208532D+01  0.211267D+01
      2  -0.397713D+01 -0.718723D+01  0.336186D+00 -0.149834D+01  0.274151D+01
      3  -0.816870D+01  0.547654D+01  0.110822D+01  0.358365D+01 -0.485418D+01
      4  -0.228145D+02  0.101417D+02 -0.398529D+01  0.877358D+01 -0.662295D+01
      5   0.105489D+02 -0.447371D+01  0.430794D+01 -0.236966D+01  0.113446D+01
      6  -0.361696D+01  0.628030D+01 -0.528721D+01  0.142781D+01  0.198016D+00
               231           232           233           234           235 
      1  -0.128015D+01 -0.988308D+00 -0.344410D+01  0.133584D+01 -0.623924D+00
      2   0.134351D+01 -0.163534D+01  0.592264D+01 -0.313374D+01 -0.215842D+01
      3  -0.633665D-01  0.262365D+01 -0.247854D+01  0.179790D+01  0.278234D+01
      4   0.122950D+01  0.205961D+01 -0.492087D+00 -0.296236D+01 -0.116899D+01
      5  -0.121839D+01  0.212875D+01 -0.521323D+00  0.171834D+01  0.153575D+01
      6   0.107641D+01 -0.249290D+01 -0.733991D+00 -0.364150D+00 -0.238838D+01
               236           237           238           239           240 
      1  -0.281859D+01  0.185206D+01 -0.166840D+01  0.107773D+01 -0.145739D+01
      2   0.278141D+01 -0.718658D+00  0.102139D+01 -0.385863D+01 -0.302562D+01
      3   0.371845D-01 -0.113340D+01  0.647015D+00  0.278090D+01  0.448301D+01
      4   0.233370D+01 -0.293970D+01  0.341746D+00 -0.741671D-01  0.242566D-01
      5  -0.902560D+00  0.490372D+01 -0.159976D+00 -0.116275D+01  0.106554D+01
      6  -0.117196D+01  0.984526D+00 -0.874119D+00  0.596054D+00  0.117311D+01
               241           242           243           244           245 
      1  -0.880771D+00  0.592059D+01 -0.162715D+02  0.284122D+02 -0.215461D+01
      2  -0.309955D+01 -0.382903D+01 -0.185638D+02 -0.175212D+02  0.512295D+01
      3   0.398032D+01 -0.209156D+01  0.348354D+02 -0.108910D+02 -0.296834D+01
      4  -0.372657D+01  0.281195D+00 -0.320070D+01  0.153903D+02  0.596900D+01
      5   0.432700D+01 -0.885951D+00  0.550546D+01  0.128950D+02  0.158999D+01
      6  -0.330337D+01  0.718509D+01 -0.222388D+02  0.897045D+00  0.345794D+01
               246           247           248           249           250 
      1   0.216096D+01 -0.677142D+00  0.438515D+01  0.100860D+01 -0.165585D+01
      2  -0.321544D+01  0.178650D+01 -0.225589D+01 -0.643593D+00 -0.170235D+01
      3   0.105448D+01 -0.110936D+01 -0.212927D+01 -0.365007D+00  0.335820D+01
      4   0.315504D+01  0.166482D+01  0.454977D-02 -0.135833D+01 -0.292870D+01
      5   0.612190D+01 -0.219280D+01 -0.791814D+00 -0.865444D+00  0.279966D+01
      6   0.318995D+01 -0.218716D+00 -0.219986D+01 -0.745345D+00  0.104396D+01
               251           252           253           254           255 
      1   0.257525D+01  0.279281D+01  0.186728D+01  0.303382D+01  0.393266D+01
      2  -0.385784D+01 -0.457850D+01 -0.440244D+01 -0.309602D+01 -0.117544D+01
      3   0.128259D+01  0.178569D+01  0.253517D+01  0.621970D-01 -0.275722D+01
      4  -0.270136D+01  0.531726D+00 -0.372696D+00 -0.866764D+00  0.129587D+01
      5  -0.919090D+00  0.173021D+01  0.186731D+01 -0.928698D+00  0.363168D+01
      6  -0.136740D+01 -0.328097D+00  0.547764D+00 -0.169195D+01 -0.200182D+01
               256           257           258           259           260 
      1   0.918374D+00 -0.147279D+01  0.219870D+00 -0.320003D+00 -0.451291D+01
      2  -0.370104D+00 -0.155332D+01  0.348278D+01 -0.416579D+01  0.410886D+01
      3  -0.548270D+00  0.302611D+01 -0.370265D+01  0.448579D+01  0.404050D+00
      4  -0.126326D+01 -0.103282D+01  0.762375D-01  0.310008D+01  0.265064D+01
      5  -0.150716D+01 -0.838372D+00 -0.209023D+01  0.622681D+01  0.127434D+01
      6  -0.114601D+01  0.954162D+00  0.244397D+01  0.369385D+01  0.527888D+01
               261           262           263           264           265 
      1  -0.143414D+02  0.211806D+02  0.844632D+01 -0.202095D+01  0.129093D+02
      2  -0.204959D+02 -0.115750D+02 -0.569023D+01  0.262769D+01 -0.827294D+01
      3   0.348373D+02 -0.960565D+01 -0.275609D+01 -0.606737D+00 -0.463633D+01
      4   0.145011D+01  0.940522D+01  0.979739D+01 -0.212562D+01  0.642507D+01
      5   0.135991D+02 -0.681016D+01 -0.335460D+01  0.471435D+01 -0.859038D+01
      6   0.184179D+02 -0.354036D+01 -0.351139D+01  0.981841D+00 -0.293799D+01
               266           267           268           269           270 
      1   0.704075D+01 -0.270047D+01  0.507107D+01  0.809133D+00  0.554669D+00
      2  -0.365539D+01  0.363289D+01 -0.161765D+01  0.237645D+00 -0.237056D+01
      3  -0.338537D+01 -0.932418D+00 -0.345342D+01 -0.104678D+01  0.181589D+01
      4   0.120582D+02 -0.217908D+00 -0.291504D+01  0.253094D+01  0.342395D+01
      5  -0.208074D+01  0.504725D+01  0.130770D+01  0.297952D+01 -0.120521D+01
      6  -0.487336D+01  0.690234D+00  0.100765D+01  0.119349D+00 -0.130916D+01
               271           272           273           274           275 
      1  -0.184876D+01  0.572607D+00 -0.353577D+01  0.127182D+01 -0.146011D+01
      2  -0.626584D+00 -0.107885D+00 -0.913120D+00 -0.139804D+01 -0.162002D+01
      3   0.247534D+01 -0.464721D+00  0.444889D+01  0.126212D+00  0.308012D+01
      4   0.406235D+01 -0.270497D+00 -0.718683D+00  0.197643D+01 -0.669209D+00
      5   0.656966D+00 -0.133167D+01  0.121918D+01 -0.144062D+01 -0.240458D+01
      6  -0.339696D+00 -0.465033D+00  0.106143D+01 -0.125868D+01  0.921464D+00
               276           277           278           279           280 
      1  -0.821231D+00 -0.175562D+01  0.217543D+00 -0.152339D+02 -0.436324D+01
      2   0.205969D+01  0.555015D+01  0.217344D+01 -0.196131D+02  0.692059D+01
      3  -0.123846D+01 -0.379453D+01 -0.239098D+01  0.348470D+02 -0.255735D+01
      4  -0.257416D+01  0.212188D+01 -0.448349D+01  0.258862D+01  0.869007D+01
      5   0.112830D+01  0.827724D+01  0.101244D+01 -0.220016D+02 -0.389663D+01
      6   0.487480D+01 -0.139710D+01  0.323093D+01  0.635928D+01 -0.106374D+01
               281           282           283           284           285 
      1  -0.839628D+01  0.309415D+01 -0.684002D+01 -0.155971D+02  0.350492D+01
      2   0.121578D+02 -0.227009D+01  0.866943D+01  0.260745D+02 -0.277482D+01
      3  -0.376155D+01 -0.824058D+00 -0.182941D+01 -0.104774D+02 -0.730096D+00
      4   0.391669D+01  0.849298D+00  0.815189D+01  0.638214D+01 -0.135042D+01
      5  -0.192770D+01 -0.524809D-01 -0.321400D+01 -0.328334D+01  0.359140D+00
      6  -0.809405D+01  0.440631D+01 -0.298465D+01 -0.870982D+01  0.539366D+01
               286           287           288           289           290 
      1  -0.368816D+00 -0.827964D+00 -0.319660D+01 -0.121061D+01 -0.181471D+01
      2   0.950953D+00  0.440197D+01  0.140400D+01 -0.190459D+01  0.159837D+01
      3  -0.582137D+00 -0.357400D+01  0.179260D+01  0.311520D+01  0.216332D+00
      4   0.287606D+01 -0.332305D+01  0.292254D+01 -0.729039D+00  0.921413D+00
      5  -0.400256D+00  0.777685D+00 -0.114231D+01  0.135757D+01 -0.821928D+00
      6   0.274402D+01  0.178257D+01 -0.132677D+01 -0.183162D+01 -0.193078D+01
               291           292           293           294           295 
      1   0.277763D+01  0.425346D-01 -0.194741D+01 -0.398576D+00  0.265820D+01
      2  -0.936008D+00  0.344042D+00 -0.498423D+00 -0.381600D+01 -0.745787D+00
      3  -0.184163D+01 -0.386577D+00  0.244584D+01  0.421457D+01 -0.191241D+01
      4  -0.204890D+01 -0.984214D+00  0.415513D+01 -0.630459D+00 -0.444440D+01
      5   0.451593D+01 -0.584886D-01 -0.568745D+00  0.148766D+01  0.335660D+01
      6   0.159436D+01 -0.170385D+01  0.157878D+00  0.158219D+01  0.390081D+00
               296           297           298           299           300 
      1   0.528880D+01 -0.202300D+02 -0.308608D+01  0.361795D+01  0.254307D+00
      2  -0.118549D+01 -0.145929D+02  0.481207D+01 -0.372035D+01  0.235405D+00
      3  -0.410330D+01  0.348228D+02 -0.172599D+01  0.102394D+00 -0.489712D+00
      4   0.243163D+01  0.194480D+01 -0.185715D+01  0.520435D+00 -0.179796D+01
      5  -0.204709D+01  0.914073D+01 -0.249975D+01 -0.143444D+00 -0.924781D+00
      6   0.816647D+01 -0.210204D+02 -0.794767D+00 -0.402054D+01 -0.178832D+01
               301           302           303           304           305 
      1   0.582276D+01 -0.198036D+02 -0.396064D+01 -0.287217D+01 -0.134931D+01
      2  -0.403759D+01  0.310525D+02  0.297400D+01  0.203750D+01 -0.214219D+01
      3  -0.178517D+01 -0.112489D+02  0.986639D+00  0.834662D+00  0.349150D+01
      4   0.529380D+01  0.986053D+01  0.213144D+01 -0.304716D+01 -0.327110D+01
      5   0.300569D+01 -0.381051D+00  0.226136D+01 -0.130913D+01  0.499133D+00
      6   0.203450D+00  0.126859D+02  0.631623D+01 -0.146699D+01  0.272683D+01
               306           307           308           309           310 
      1  -0.459048D+01 -0.943621D+00  0.411912D+00  0.356638D+01 -0.233213D+01
      2   0.278315D+01 -0.212336D+01  0.596977D-01 -0.258667D+00  0.220270D+01
      3   0.180732D+01  0.306698D+01 -0.471609D+00 -0.330771D+01  0.129429D+00
      4  -0.447383D+00 -0.609417D+00 -0.130277D+01  0.415447D+00 -0.155614D+01
      5  -0.538997D+00  0.136947D+01 -0.790534D+00  0.300164D+01 -0.141282D+01
      6   0.168691D+01 -0.303117D+00 -0.193122D+01 -0.216369D+01 -0.143724D+01
               311           312           313           314           315 
      1  -0.449737D+01 -0.943571D+00  0.388090D+01 -0.440301D+01 -0.207572D+02
      2   0.201695D+01  0.418960D+01 -0.369773D+01 -0.673446D-01 -0.140839D+02
      3   0.248042D+01 -0.324602D+01 -0.183162D+00  0.447035D+01  0.348411D+02
      4  -0.156480D+01  0.656308D+00  0.332065D+01  0.295763D+01  0.591023D+00
      5  -0.104882D-01 -0.209932D+01  0.465505D+01  0.347679D+01  0.164948D+02
      6   0.150400D+01  0.307035D+01  0.107086D+01  0.684026D+01  0.158499D+02
               316           317           318           319           320 
      1   0.619114D+01 -0.323446D+01  0.794269D+00 -0.912010D+01  0.534264D+00
      2  -0.101567D+00 -0.630641D+00 -0.579498D+00  0.336523D+01  0.639515D+01
      3  -0.608957D+01  0.386510D+01 -0.214771D+00  0.575486D+01 -0.692941D+01
      4  -0.885357D+01  0.105709D+02  0.200222D+01  0.106667D+02 -0.215640D+02
      5  -0.116465D+01  0.221999D+01  0.198341D+01  0.730280D+01 -0.377455D+01
      6   0.205801D+01 -0.321440D+01 -0.153674D+01 -0.464425D+01  0.908306D+01
               321           322           323           324           325 
      1   0.145079D+01  0.610231D+01 -0.137598D+01 -0.228370D+01 -0.409480D+01
      2  -0.253254D+01 -0.329516D+01 -0.908476D+00  0.479471D+00  0.140679D+01
      3   0.108176D+01 -0.280715D+01  0.228446D+01  0.180423D+01  0.268802D+01
      4  -0.336504D+01  0.478044D+00  0.202750D+01 -0.344562D+01 -0.119883D+01
      5  -0.557944D+01 -0.287453D+00 -0.279877D+01 -0.586447D+00  0.927529D+00
      6   0.338934D+01 -0.839809D+00  0.167228D+01  0.165546D+01 -0.868025D+00
               326           327           328           329           330 
      1   0.598636D+00 -0.298515D+01  0.178145D+01 -0.147230D+01 -0.298105D+00
      2  -0.123028D+01 -0.160936D+01 -0.180522D+01 -0.140082D+01  0.842000D+00
      3   0.631640D+00  0.459450D+01  0.237649D-01  0.287312D+01 -0.543895D+00
      4   0.692362D+00  0.238374D+00  0.299940D+01 -0.839970D+00 -0.316964D+01
      5  -0.387617D+00  0.966568D+00 -0.577708D+00 -0.276371D+01  0.464858D+00
      6  -0.556024D+00  0.544852D+00 -0.132813D+01  0.100305D+01  0.510970D+01
               331           332           333 
      1  -0.342857D+01 -0.256892D+01 -0.177013D+02
      2   0.601920D+01 -0.110517D+01 -0.171383D+02
      3  -0.259063D+01  0.367409D+01  0.348396D+02
      4  -0.481645D+00 -0.398526D+01 -0.338480D+01
      5   0.767739D+01 -0.285745D+01 -0.227558D+02
      6  -0.440538D+00  0.383650D+01  0.254796D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul  9 04:18:57 2021, MaxMem= 10737418240 cpu:          204190.5 elap:           12775.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.92507 -14.92506 -14.92506 -14.92505 -14.92505
 Alpha  occ. eigenvalues --  -14.92504 -10.73955 -10.73955 -10.73954 -10.73932
 Alpha  occ. eigenvalues --  -10.73932 -10.73932  -3.78234  -2.54982  -2.54982
 Alpha  occ. eigenvalues --   -2.54583  -1.47148  -1.45994  -1.45994  -1.43438
 Alpha  occ. eigenvalues --   -1.43437  -1.43406  -1.25203  -1.25001  -1.25000
 Alpha  occ. eigenvalues --   -1.13120  -1.13118  -1.12030  -1.05196  -1.04817
 Alpha  occ. eigenvalues --   -1.04816  -1.04615  -1.02531  -1.02530  -1.02162
 Alpha  occ. eigenvalues --   -1.02072  -1.02071  -0.95729  -0.95728  -0.94895
 Alpha  occ. eigenvalues --   -0.94110  -0.94016  -0.94015  -0.91958  -0.90816
 Alpha  occ. eigenvalues --   -0.90815  -0.87019  -0.87018  -0.86495  -0.85055
 Alpha  occ. eigenvalues --   -0.85054  -0.84596  -0.82766  -0.81898  -0.81897
 Alpha  occ. eigenvalues --   -0.79474  -0.79473  -0.79334
 Alpha virt. eigenvalues --   -0.40304  -0.40298  -0.33515  -0.31300  -0.30588
 Alpha virt. eigenvalues --   -0.30586  -0.27276  -0.27019  -0.27019  -0.25377
 Alpha virt. eigenvalues --   -0.25376  -0.24848  -0.23333  -0.23332  -0.23008
 Alpha virt. eigenvalues --   -0.22295  -0.22294  -0.22135  -0.21277  -0.21277
 Alpha virt. eigenvalues --   -0.21057  -0.19358  -0.18951  -0.18949  -0.18937
 Alpha virt. eigenvalues --   -0.18553  -0.18552  -0.17714  -0.17713  -0.17633
 Alpha virt. eigenvalues --   -0.17133  -0.17132  -0.16071  -0.16071  -0.16031
 Alpha virt. eigenvalues --   -0.15656  -0.15107  -0.14981  -0.14980  -0.14729
 Alpha virt. eigenvalues --   -0.14184  -0.14182  -0.13983  -0.13517  -0.13515
 Alpha virt. eigenvalues --   -0.13325  -0.12963  -0.12962  -0.12404  -0.12403
 Alpha virt. eigenvalues --   -0.12401  -0.11761  -0.11760  -0.11655  -0.11280
 Alpha virt. eigenvalues --   -0.11278  -0.10895  -0.10894  -0.10522  -0.10520
 Alpha virt. eigenvalues --   -0.10462  -0.09873  -0.09634  -0.09388  -0.08716
 Alpha virt. eigenvalues --   -0.08715  -0.08308  -0.08269  -0.08206  -0.08206
 Alpha virt. eigenvalues --   -0.08008  -0.07278  -0.07277  -0.06676  -0.06489
 Alpha virt. eigenvalues --   -0.06485  -0.05831  -0.05562  -0.05561  -0.04929
 Alpha virt. eigenvalues --   -0.04855  -0.04678  -0.04676  -0.03867  -0.03679
 Alpha virt. eigenvalues --   -0.03679  -0.02420  -0.02419  -0.02355  -0.01006
 Alpha virt. eigenvalues --   -0.01005  -0.00586  -0.00403  -0.00400   0.00061
 Alpha virt. eigenvalues --    0.00665   0.00665   0.00755   0.00757   0.01109
 Alpha virt. eigenvalues --    0.01395   0.01395   0.01413   0.02717   0.03715
 Alpha virt. eigenvalues --    0.03927   0.03929   0.05509   0.05978   0.05980
 Alpha virt. eigenvalues --    0.06509   0.07017   0.07394   0.07395   0.08209
 Alpha virt. eigenvalues --    0.08211   0.08573   0.08575   0.08777   0.09635
 Alpha virt. eigenvalues --    0.09646   0.09647   0.10859   0.10862   0.11038
 Alpha virt. eigenvalues --    0.11232   0.11872   0.12087   0.12088   0.12750
 Alpha virt. eigenvalues --    0.12757   0.13294   0.13295   0.15639   0.15645
 Alpha virt. eigenvalues --    0.15918   0.16036   0.16038   0.16162   0.17168
 Alpha virt. eigenvalues --    0.17169   0.17294   0.17615   0.18551   0.18552
 Alpha virt. eigenvalues --    0.20133   0.20137   0.20202   0.20361   0.20394
 Alpha virt. eigenvalues --    0.20398   0.22491   0.22673   0.22680   0.23523
 Alpha virt. eigenvalues --    0.23638   0.23679   0.23687   0.24255   0.25474
 Alpha virt. eigenvalues --    0.25476   0.25963   0.25963   0.26790   0.26793
 Alpha virt. eigenvalues --    0.27936   0.28387   0.29020   0.29022   0.30208
 Alpha virt. eigenvalues --    0.31302   0.31304   0.31794   0.31929   0.32143
 Alpha virt. eigenvalues --    0.32146   0.33517   0.33520   0.33813   0.33818
 Alpha virt. eigenvalues --    0.34988   0.35180   0.35840   0.35889   0.35890
 Alpha virt. eigenvalues --    0.36627   0.36628   0.37343   0.37630   0.37635
 Alpha virt. eigenvalues --    0.37704   0.38689   0.38694   0.40604   0.40609
 Alpha virt. eigenvalues --    0.41219   0.41619   0.41622   0.42062   0.42223
 Alpha virt. eigenvalues --    0.42226   0.43161   0.43165   0.43578   0.44080
 Alpha virt. eigenvalues --    0.45244   0.45246   0.45865   0.45867   0.45901
 Alpha virt. eigenvalues --    0.46886   0.46890   0.47492   0.47593   0.47595
 Alpha virt. eigenvalues --    0.47890   0.50047   0.51124   0.51466   0.51473
 Alpha virt. eigenvalues --    0.51520   0.52633   0.52637   0.54668   0.54669
 Alpha virt. eigenvalues --    0.56143   0.56510   0.56720   0.56723   0.57666
 Alpha virt. eigenvalues --    0.57668   0.58065   0.58069   0.58641   0.59023
 Alpha virt. eigenvalues --    0.61165   0.61168   0.61373   0.61756   0.63459
 Alpha virt. eigenvalues --    0.63462   0.64005   0.64909   0.64918   0.65226
 Alpha virt. eigenvalues --    0.65228   0.66696   0.66704   0.66790   0.69074
 Alpha virt. eigenvalues --    0.69081   0.71189   0.71621   0.73378   0.73545
 Alpha virt. eigenvalues --    0.73549   0.73900   0.74568   0.74576   0.76101
 Alpha virt. eigenvalues --    0.76103   0.76462   0.79097   0.79100   0.79452
 Alpha virt. eigenvalues --    0.79974   0.79978   0.82111   0.84369   0.84882
 Alpha virt. eigenvalues --    0.84883   0.87727   0.87734   0.91546   0.92399
 Alpha virt. eigenvalues --    0.92403   0.92608   0.92610   0.93365   0.94396
 Alpha virt. eigenvalues --    0.95729   0.95731   0.97848   0.97850   0.99614
 Alpha virt. eigenvalues --    1.01089   1.01246   1.01758   1.01760   1.05165
 Alpha virt. eigenvalues --    1.06693   1.06701   1.09667   1.13356   1.13361
 Alpha virt. eigenvalues --    1.15929   1.15931   1.16659   1.18884   1.18888
 Alpha virt. eigenvalues --    1.21175   1.21184   1.23338   1.24103   1.25032
 Alpha virt. eigenvalues --    1.25038   1.28473   1.28478   1.28833   1.30669
 Alpha virt. eigenvalues --    1.30679   1.31835   1.33257   1.33265   1.33320
 Alpha virt. eigenvalues --    1.36484   1.36487   1.38761   1.40427   1.40434
 Alpha virt. eigenvalues --    1.40724   1.43413   1.43699   1.43701   1.44277
 Alpha virt. eigenvalues --    1.44287   1.45695   1.45850   1.47225   1.47227
 Alpha virt. eigenvalues --    1.47874   1.47876   1.49431   1.51345   1.51357
 Alpha virt. eigenvalues --    1.52101   1.53400   1.53407   1.53962   1.55538
 Alpha virt. eigenvalues --    1.57577   1.57582   1.59224   1.59642   1.59643
 Alpha virt. eigenvalues --    1.60663   1.60668   1.62045   1.63985   1.63986
 Alpha virt. eigenvalues --    1.65956   1.65960   1.67122   1.67124   1.67349
 Alpha virt. eigenvalues --    1.67798   1.68678   1.69462   1.70192   1.70197
 Alpha virt. eigenvalues --    1.72355   1.73384   1.73392   1.73559   1.74816
 Alpha virt. eigenvalues --    1.76983   1.77758   1.77763   1.78317   1.78319
 Alpha virt. eigenvalues --    1.78711   1.79610   1.79619   1.83073   1.83080
 Alpha virt. eigenvalues --    1.84651   1.84890   1.84902   1.87271   1.87655
 Alpha virt. eigenvalues --    1.87664   1.90237   1.90732   1.90739   1.94399
 Alpha virt. eigenvalues --    1.95529   1.96150   1.96162   1.97024   1.97027
 Alpha virt. eigenvalues --    1.97348   1.98533   1.99625   1.99639   2.00695
 Alpha virt. eigenvalues --    2.02447   2.02453   2.05673   2.05679   2.09451
 Alpha virt. eigenvalues --    2.09456   2.09471   2.11499   2.11508   2.11781
 Alpha virt. eigenvalues --    2.14469   2.14827   2.14833   2.18523   2.19163
 Alpha virt. eigenvalues --    2.19776   2.20846   2.20857   2.21399   2.21406
 Alpha virt. eigenvalues --    2.22704   2.23152   2.23798   2.23802   2.26865
 Alpha virt. eigenvalues --    2.26873   2.27908   2.28622   2.28623   2.29961
 Alpha virt. eigenvalues --    2.30279   2.30283   2.30793   2.30798   2.33388
 Alpha virt. eigenvalues --    2.35186   2.35635   2.35641   2.36570   2.37489
 Alpha virt. eigenvalues --    2.37595   2.37600   2.39539   2.39545   2.40205
 Alpha virt. eigenvalues --    2.41195   2.41820   2.41826   2.43519   2.43519
 Alpha virt. eigenvalues --    2.45321   2.45325   2.46098   2.51835   2.51843
 Alpha virt. eigenvalues --    2.54480   2.56303   2.59155   2.59158   2.62918
 Alpha virt. eigenvalues --    2.62922   2.63490   2.67746   2.70264   2.70271
 Alpha virt. eigenvalues --    2.74121   2.74128   2.76398   2.76966   2.82088
 Alpha virt. eigenvalues --    2.83687   2.83693   2.88937   2.88945   2.94292
 Alpha virt. eigenvalues --    2.96296   2.97406   2.97432   3.01845   3.01853
 Alpha virt. eigenvalues --    3.06789   3.07876   3.08650   3.08652   3.16002
 Alpha virt. eigenvalues --    3.20008   3.20020   3.44868   3.44883   3.85702
 Alpha virt. eigenvalues --    5.97182   5.97446  45.87392
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.145954   0.445564   0.281892  -1.805282   1.180271   0.000142
     2  C    0.445564   5.147540   1.181666  -1.806941   0.283624  -0.051062
     3  N    0.281892   1.181666  11.080661  -8.895544   1.048440   0.334103
     4  Rh  -1.805282  -1.806941  -8.895544  77.588315  -8.886380  -8.885254
     5  N    1.180271   0.283624   1.048440  -8.886380  11.077254   0.360117
     6  N    0.000142  -0.051062   0.334103  -8.885254   0.360117  11.076609
     7  C   -0.042289  -0.085586  -0.050491  -1.807251   0.032920   1.180580
     8  C    0.072007  -0.042240   0.000283  -1.804373   0.206880   0.283190
     9  N    0.207661   0.032547   0.361867  -8.898622   1.161498   1.049383
    10  N   -0.050529   0.000352   0.364043  -8.905473   0.334422   1.161925
    11  C   -0.085352  -0.042439   0.032664  -1.806545  -0.050894   0.206950
    12  C   -0.042378   0.072033   0.207766  -1.805831  -0.000085   0.033306
    13  N    0.033461   0.206695   1.160869  -8.879620   0.360262   0.358570
    14  H    0.006627   0.000535   0.017769   0.476126   0.011674   0.013170
    15  H   -0.010568   0.000870  -0.028052   0.436256  -0.042937  -0.042121
    16  H   -0.000104  -0.003657  -0.002344   0.474945  -0.011600  -0.609041
    17  H   -0.001906   0.007305  -0.014633   0.437076   0.021521  -0.263020
    18  H   -0.003655  -0.000133  -0.011877   0.476461  -0.002377   0.011695
    19  H    0.007352  -0.001934   0.021889   0.436336  -0.014625  -0.042980
    20  H    0.000429   0.006674   0.011593   0.473957   0.017726  -0.011555
    21  H    0.000952  -0.010623  -0.042950   0.438329  -0.027869   0.021442
    22  H   -0.081297   0.118791  -0.608434   0.475669   0.013156  -0.002384
    23  H   -0.099577  -0.312973  -0.263142   0.437128  -0.042298  -0.014623
    24  H    0.119200  -0.081180   0.013245   0.475068  -0.608664   0.017742
    25  H   -0.312345  -0.099988  -0.042291   0.437158  -0.263180  -0.027941
    26  H   -0.103497   0.035353  -0.016245  -0.058290   0.309164  -0.029240
    27  H    0.011191  -0.004998  -0.008829   0.154034   0.175004   0.006202
    28  H    0.035420  -0.103918   0.308411  -0.057910  -0.016659   0.016531
    29  H   -0.005165   0.011308   0.174665   0.154005  -0.008604  -0.004480
    30  H    0.011345  -0.006745  -0.015755  -0.058313  -0.029204   0.067282
    31  H    0.015693   0.013366   0.015588   0.153361   0.006236  -0.083948
    32  H    0.005888   0.004456   0.067473  -0.057579   0.016509  -0.015836
    33  H   -0.003495  -0.013527  -0.083761   0.154889  -0.004457   0.015439
    34  H    0.004431   0.005892   0.016419  -0.057849   0.067254   0.309011
    35  H   -0.013502  -0.003540  -0.004491   0.153339  -0.084025   0.175576
    36  H   -0.006624   0.011218  -0.029301  -0.057410  -0.015890  -0.016677
    37  H    0.013318   0.015860   0.006374   0.153912   0.015565  -0.008613
               7          8          9         10         11         12
     1  C   -0.042289   0.072007   0.207661  -0.050529  -0.085352  -0.042378
     2  C   -0.085586  -0.042240   0.032547   0.000352  -0.042439   0.072033
     3  N   -0.050491   0.000283   0.361867   0.364043   0.032664   0.207766
     4  Rh  -1.807251  -1.804373  -8.898622  -8.905473  -1.806545  -1.805831
     5  N    0.032920   0.206880   1.161498   0.334422  -0.050894  -0.000085
     6  N    1.180580   0.283190   1.049383   1.161925   0.206950   0.033306
     7  C    5.146247   0.445218   0.282729   0.208568   0.072143  -0.042230
     8  C    0.445218   5.146593   1.181152   0.031845  -0.042274  -0.085607
     9  N    0.282729   1.181152  11.081298   0.364663   0.000677  -0.050735
    10  N    0.208568   0.031845   0.364663  11.085811   1.182065   0.282193
    11  C    0.072143  -0.042274   0.000677   1.182065   5.147235   0.445527
    12  C   -0.042230  -0.085607  -0.050735   0.282193   0.445527   5.146320
    13  N    0.000184  -0.051038   0.334320   1.049036   0.282720   1.180127
    14  H   -0.081479   0.119062  -0.609006  -0.011831  -0.000128  -0.003668
    15  H   -0.099260  -0.312725  -0.262674   0.021728  -0.001906   0.007339
    16  H    0.119453  -0.081307   0.013437   0.011651   0.006643   0.000482
    17  H   -0.312186  -0.099753  -0.042439  -0.042978  -0.010584   0.000892
    18  H    0.006632   0.000547   0.017752  -0.608875   0.118887  -0.081581
    19  H   -0.010595   0.000880  -0.028070  -0.262714  -0.313540  -0.099045
    20  H   -0.000111  -0.003664  -0.002374   0.013244  -0.080769   0.119278
    21  H   -0.001892   0.007331  -0.014563  -0.042349  -0.100586  -0.311974
    22  H   -0.003664  -0.000124  -0.011780   0.017740   0.000490   0.006655
    23  H    0.007339  -0.001919   0.021779  -0.027998   0.000921  -0.010605
    24  H    0.000484   0.006643   0.011585  -0.002350  -0.003644  -0.000113
    25  H    0.000922  -0.010608  -0.042967  -0.014584   0.007326  -0.001915
    26  H    0.011318  -0.006737  -0.015883   0.016448   0.005876   0.004437
    27  H    0.015765   0.013325   0.015533  -0.004471  -0.003529  -0.013486
    28  H    0.005917   0.004440   0.067423  -0.029217   0.011249  -0.006642
    29  H   -0.003517  -0.013534  -0.083912   0.006340   0.015791   0.013387
    30  H    0.004431   0.005895   0.016472  -0.016231   0.035445  -0.103537
    31  H   -0.013500  -0.003555  -0.004502  -0.008919  -0.004958   0.011318
    32  H   -0.006634   0.011169  -0.029177   0.308277  -0.103885   0.035355
    33  H    0.013353   0.015828   0.006248   0.173717   0.011222  -0.005163
    34  H   -0.103516   0.035421  -0.016337  -0.016056  -0.006751   0.011352
    35  H    0.011324  -0.005048  -0.008783   0.015620   0.013309   0.015761
    36  H    0.035437  -0.103874   0.308639   0.067438   0.004447   0.005904
    37  H   -0.005201   0.011383   0.174852  -0.084087  -0.013542  -0.003515
              13         14         15         16         17         18
     1  C    0.033461   0.006627  -0.010568  -0.000104  -0.001906  -0.003655
     2  C    0.206695   0.000535   0.000870  -0.003657   0.007305  -0.000133
     3  N    1.160869   0.017769  -0.028052  -0.002344  -0.014633  -0.011877
     4  Rh  -8.879620   0.476126   0.436256   0.474945   0.437076   0.476461
     5  N    0.360262   0.011674  -0.042937  -0.011600   0.021521  -0.002377
     6  N    0.358570   0.013170  -0.042121  -0.609041  -0.263020   0.011695
     7  C    0.000184  -0.081479  -0.099260   0.119453  -0.312186   0.006632
     8  C   -0.051038   0.119062  -0.312725  -0.081307  -0.099753   0.000547
     9  N    0.334320  -0.609006  -0.262674   0.013437  -0.042439   0.017752
    10  N    1.049036  -0.011831   0.021728   0.011651  -0.042978  -0.608875
    11  C    0.282720  -0.000128  -0.001906   0.006643  -0.010584   0.118887
    12  C    1.180127  -0.003668   0.007339   0.000482   0.000892  -0.081581
    13  N   11.072599  -0.002383  -0.014657   0.017779  -0.027920   0.013081
    14  H   -0.002383   1.995166  -0.476807  -0.044790  -0.146639  -0.000007
    15  H   -0.014657  -0.476807   2.252800  -0.146631   0.168333   0.000204
    16  H    0.017779  -0.044790  -0.146631   1.994983  -0.476516   0.001909
    17  H   -0.027920  -0.146639   0.168333  -0.476516   2.252646  -0.000454
    18  H    0.013081  -0.000007   0.000204   0.001909  -0.000454   1.995309
    19  H   -0.042156   0.000118  -0.001848  -0.000452  -0.001166  -0.476867
    20  H   -0.608020   0.000085  -0.000323  -0.000011   0.000117  -0.044896
    21  H   -0.263847  -0.000322   0.002481   0.000209  -0.001823  -0.146518
    22  H    0.011635  -0.000009   0.000118   0.000086  -0.000325  -0.000011
    23  H   -0.042854   0.000203  -0.001841  -0.000324   0.002486   0.000123
    24  H   -0.011658   0.001909  -0.000451  -0.000009   0.000203   0.000086
    25  H    0.021676  -0.000456  -0.001166   0.000120  -0.001833  -0.000325
    26  H    0.067291  -0.001932  -0.001494  -0.000802   0.009995   0.000440
    27  H   -0.083851   0.004832  -0.004760   0.005060  -0.011531  -0.000902
    28  H   -0.015576  -0.000482   0.000060   0.000442  -0.000137  -0.000780
    29  H    0.015500   0.002898  -0.001765  -0.000896   0.000434   0.005043
    30  H    0.308864   0.000441  -0.000140  -0.000477   0.000061   0.008798
    31  H    0.175869  -0.000903   0.000442   0.002899  -0.001747   0.003024
    32  H   -0.016677  -0.000787   0.010034  -0.001950  -0.001479  -0.023626
    33  H   -0.008631   0.005058  -0.011599   0.004844  -0.004776   0.039644
    34  H   -0.029251   0.008792  -0.013206  -0.023596   0.052976  -0.001937
    35  H    0.006342   0.003031  -0.003107   0.039669  -0.077387   0.004831
    36  H    0.016496  -0.023661   0.053027   0.008809  -0.013123  -0.000484
    37  H   -0.004490   0.039669  -0.077347   0.003027  -0.003135   0.002897
              19         20         21         22         23         24
     1  C    0.007352   0.000429   0.000952  -0.081297  -0.099577   0.119200
     2  C   -0.001934   0.006674  -0.010623   0.118791  -0.312973  -0.081180
     3  N    0.021889   0.011593  -0.042950  -0.608434  -0.263142   0.013245
     4  Rh   0.436336   0.473957   0.438329   0.475669   0.437128   0.475068
     5  N   -0.014625   0.017726  -0.027869   0.013156  -0.042298  -0.608664
     6  N   -0.042980  -0.011555   0.021442  -0.002384  -0.014623   0.017742
     7  C   -0.010595  -0.000111  -0.001892  -0.003664   0.007339   0.000484
     8  C    0.000880  -0.003664   0.007331  -0.000124  -0.001919   0.006643
     9  N   -0.028070  -0.002374  -0.014563  -0.011780   0.021779   0.011585
    10  N   -0.262714   0.013244  -0.042349   0.017740  -0.027998  -0.002350
    11  C   -0.313540  -0.080769  -0.100586   0.000490   0.000921  -0.003644
    12  C   -0.099045   0.119278  -0.311974   0.006655  -0.010605  -0.000113
    13  N   -0.042156  -0.608020  -0.263847   0.011635  -0.042854  -0.011658
    14  H    0.000118   0.000085  -0.000322  -0.000009   0.000203   0.001909
    15  H   -0.001848  -0.000323   0.002481   0.000118  -0.001841  -0.000451
    16  H   -0.000452  -0.000011   0.000209   0.000086  -0.000324  -0.000009
    17  H   -0.001166   0.000117  -0.001823  -0.000325   0.002486   0.000203
    18  H   -0.476867  -0.044896  -0.146518  -0.000011   0.000123   0.000086
    19  H    2.253249  -0.146401   0.168195   0.000202  -0.001848  -0.000324
    20  H   -0.146401   1.994679  -0.476368   0.001918  -0.000454  -0.000013
    21  H    0.168195  -0.476368   2.252360  -0.000457  -0.001166   0.000121
    22  H    0.000202   0.001918  -0.000457   1.995109  -0.476679  -0.044887
    23  H   -0.001848  -0.000454  -0.001166  -0.476679   2.252590  -0.146463
    24  H   -0.000324  -0.000013   0.000121  -0.044887  -0.146463   1.995017
    25  H    0.002486   0.000205  -0.001829  -0.146473   0.168164  -0.476483
    26  H   -0.000137  -0.000475   0.000060   0.008779  -0.013199  -0.023612
    27  H    0.000443   0.002894  -0.001742   0.003032  -0.003114   0.039640
    28  H    0.010068  -0.001961  -0.001472  -0.023655   0.053050   0.008819
    29  H   -0.011611   0.004847  -0.004772   0.039665  -0.077269   0.003025
    30  H   -0.013288  -0.023612   0.052967  -0.001947  -0.001484  -0.000806
    31  H   -0.003067   0.039633  -0.077349   0.004839  -0.004756   0.005048
    32  H    0.053092   0.008795  -0.013118  -0.000480   0.000061   0.000440
    33  H   -0.077286   0.003039  -0.003168   0.002890  -0.001760  -0.000896
    34  H   -0.001493  -0.000801   0.009957   0.000441  -0.000139  -0.000479
    35  H   -0.004759   0.005053  -0.011484  -0.000904   0.000442   0.002899
    36  H    0.000063   0.000441  -0.000136  -0.000781   0.009998  -0.001944
    37  H   -0.001768  -0.000898   0.000435   0.005048  -0.011572   0.004837
              25         26         27         28         29         30
     1  C   -0.312345  -0.103497   0.011191   0.035420  -0.005165   0.011345
     2  C   -0.099988   0.035353  -0.004998  -0.103918   0.011308  -0.006745
     3  N   -0.042291  -0.016245  -0.008829   0.308411   0.174665  -0.015755
     4  Rh   0.437158  -0.058290   0.154034  -0.057910   0.154005  -0.058313
     5  N   -0.263180   0.309164   0.175004  -0.016659  -0.008604  -0.029204
     6  N   -0.027941  -0.029240   0.006202   0.016531  -0.004480   0.067282
     7  C    0.000922   0.011318   0.015765   0.005917  -0.003517   0.004431
     8  C   -0.010608  -0.006737   0.013325   0.004440  -0.013534   0.005895
     9  N   -0.042967  -0.015883   0.015533   0.067423  -0.083912   0.016472
    10  N   -0.014584   0.016448  -0.004471  -0.029217   0.006340  -0.016231
    11  C    0.007326   0.005876  -0.003529   0.011249   0.015791   0.035445
    12  C   -0.001915   0.004437  -0.013486  -0.006642   0.013387  -0.103537
    13  N    0.021676   0.067291  -0.083851  -0.015576   0.015500   0.308864
    14  H   -0.000456  -0.001932   0.004832  -0.000482   0.002898   0.000441
    15  H   -0.001166  -0.001494  -0.004760   0.000060  -0.001765  -0.000140
    16  H    0.000120  -0.000802   0.005060   0.000442  -0.000896  -0.000477
    17  H   -0.001833   0.009995  -0.011531  -0.000137   0.000434   0.000061
    18  H   -0.000325   0.000440  -0.000902  -0.000780   0.005043   0.008798
    19  H    0.002486  -0.000137   0.000443   0.010068  -0.011611  -0.013288
    20  H    0.000205  -0.000475   0.002894  -0.001961   0.004847  -0.023612
    21  H   -0.001829   0.000060  -0.001742  -0.001472  -0.004772   0.052967
    22  H   -0.146473   0.008779   0.003032  -0.023655   0.039665  -0.001947
    23  H    0.168164  -0.013199  -0.003114   0.053050  -0.077269  -0.001484
    24  H   -0.476483  -0.023612   0.039640   0.008819   0.003025  -0.000806
    25  H    2.252608   0.052992  -0.077377  -0.013177  -0.003121   0.010023
    26  H    0.052992   0.793902  -0.131390  -0.000819   0.001169   0.002078
    27  H   -0.077377  -0.131390   0.843935   0.001161  -0.000480   0.000821
    28  H   -0.013177  -0.000819   0.001161   0.794431  -0.131480   0.012128
    29  H   -0.003121   0.001169  -0.000480  -0.131480   0.844363  -0.005230
    30  H    0.010023   0.002078   0.000821   0.012128  -0.005230   0.794009
    31  H   -0.011531  -0.001935   0.004566  -0.005244   0.003112  -0.131373
    32  H   -0.000134  -0.000326   0.001018   0.002073  -0.001923  -0.000820
    33  H    0.000437   0.001016  -0.000357   0.000833   0.004545   0.001160
    34  H    0.000060   0.002072  -0.001948  -0.000330   0.001018   0.002076
    35  H   -0.001746   0.000828   0.004590   0.001023  -0.000359  -0.001943
    36  H   -0.001484   0.012098  -0.005232   0.002070   0.000828  -0.000328
    37  H   -0.004768  -0.005221   0.003108  -0.001931   0.004570   0.001020
              31         32         33         34         35         36
     1  C    0.015693   0.005888  -0.003495   0.004431  -0.013502  -0.006624
     2  C    0.013366   0.004456  -0.013527   0.005892  -0.003540   0.011218
     3  N    0.015588   0.067473  -0.083761   0.016419  -0.004491  -0.029301
     4  Rh   0.153361  -0.057579   0.154889  -0.057849   0.153339  -0.057410
     5  N    0.006236   0.016509  -0.004457   0.067254  -0.084025  -0.015890
     6  N   -0.083948  -0.015836   0.015439   0.309011   0.175576  -0.016677
     7  C   -0.013500  -0.006634   0.013353  -0.103516   0.011324   0.035437
     8  C   -0.003555   0.011169   0.015828   0.035421  -0.005048  -0.103874
     9  N   -0.004502  -0.029177   0.006248  -0.016337  -0.008783   0.308639
    10  N   -0.008919   0.308277   0.173717  -0.016056   0.015620   0.067438
    11  C   -0.004958  -0.103885   0.011222  -0.006751   0.013309   0.004447
    12  C    0.011318   0.035355  -0.005163   0.011352   0.015761   0.005904
    13  N    0.175869  -0.016677  -0.008631  -0.029251   0.006342   0.016496
    14  H   -0.000903  -0.000787   0.005058   0.008792   0.003031  -0.023661
    15  H    0.000442   0.010034  -0.011599  -0.013206  -0.003107   0.053027
    16  H    0.002899  -0.001950   0.004844  -0.023596   0.039669   0.008809
    17  H   -0.001747  -0.001479  -0.004776   0.052976  -0.077387  -0.013123
    18  H    0.003024  -0.023626   0.039644  -0.001937   0.004831  -0.000484
    19  H   -0.003067   0.053092  -0.077286  -0.001493  -0.004759   0.000063
    20  H    0.039633   0.008795   0.003039  -0.000801   0.005053   0.000441
    21  H   -0.077349  -0.013118  -0.003168   0.009957  -0.011484  -0.000136
    22  H    0.004839  -0.000480   0.002890   0.000441  -0.000904  -0.000781
    23  H   -0.004756   0.000061  -0.001760  -0.000139   0.000442   0.009998
    24  H    0.005048   0.000440  -0.000896  -0.000479   0.002899  -0.001944
    25  H   -0.011531  -0.000134   0.000437   0.000060  -0.001746  -0.001484
    26  H   -0.001935  -0.000326   0.001016   0.002072   0.000828   0.012098
    27  H    0.004566   0.001018  -0.000357  -0.001948   0.004590  -0.005232
    28  H   -0.005244   0.002073   0.000833  -0.000330   0.001023   0.002070
    29  H    0.003112  -0.001923   0.004545   0.001018  -0.000359   0.000828
    30  H   -0.131373  -0.000820   0.001160   0.002076  -0.001943  -0.000328
    31  H    0.843647   0.001164  -0.000481   0.000822   0.004579   0.001019
    32  H    0.001164   0.794523  -0.131435   0.012139  -0.005242   0.002070
    33  H   -0.000481  -0.131435   0.844593  -0.005229   0.003109  -0.001935
    34  H    0.000822   0.012139  -0.005229   0.793888  -0.131353  -0.000829
    35  H    0.004579  -0.005242   0.003109  -0.131353   0.843771   0.001168
    36  H    0.001019   0.002070  -0.001935  -0.000829   0.001168   0.794177
    37  H   -0.000360   0.000831   0.004574   0.001172  -0.000477  -0.131450
              37
     1  C    0.013318
     2  C    0.015860
     3  N    0.006374
     4  Rh   0.153912
     5  N    0.015565
     6  N   -0.008613
     7  C   -0.005201
     8  C    0.011383
     9  N    0.174852
    10  N   -0.084087
    11  C   -0.013542
    12  C   -0.003515
    13  N   -0.004490
    14  H    0.039669
    15  H   -0.077347
    16  H    0.003027
    17  H   -0.003135
    18  H    0.002897
    19  H   -0.001768
    20  H   -0.000898
    21  H    0.000435
    22  H    0.005048
    23  H   -0.011572
    24  H    0.004837
    25  H   -0.004768
    26  H   -0.005221
    27  H    0.003108
    28  H   -0.001931
    29  H    0.004570
    30  H    0.001020
    31  H   -0.000360
    32  H    0.000831
    33  H    0.004574
    34  H    0.001172
    35  H   -0.000477
    36  H   -0.131450
    37  H    0.844124
 Mulliken charges:
               1
     1  C    1.068766
     2  C    1.069835
     3  N    0.410460
     4  Rh  -2.451901
     5  N    0.410251
     6  N    0.409809
     7  C    1.068440
     8  C    1.069288
     9  N    0.410311
    10  N    0.411537
    11  C    1.069736
    12  C    1.068681
    13  N    0.409254
    14  H   -0.301876
    15  H   -0.396306
    16  H   -0.301937
    17  H   -0.396555
    18  H   -0.302059
    19  H   -0.396396
    20  H   -0.301900
    21  H   -0.396463
    22  H   -0.301970
    23  H   -0.396223
    24  H   -0.302035
    25  H   -0.396453
    26  H    0.075922
    27  H    0.051840
    28  H    0.075842
    29  H    0.051607
    30  H    0.075919
    31  H    0.051905
    32  H    0.075743
    33  H    0.051516
    34  H    0.075910
    35  H    0.051889
    36  H    0.075815
    37  H    0.051799
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.370278
     2  C    0.371642
     3  N    0.537909
     4  Rh  -2.451901
     5  N    0.538013
     6  N    0.537607
     7  C    0.369948
     8  C    0.371106
     9  N    0.537924
    10  N    0.538796
    11  C    0.371280
    12  C    0.370318
    13  N    0.537078
 Electronic spatial extent (au):  <R**2>=           2772.6021
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0005    Y=              0.0003    Z=              0.0021  Tot=              0.0022
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -31.1907   YY=            -31.1950   ZZ=            -51.4410
   XY=             -0.0017   XZ=             -0.0012   YZ=             -0.0019
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              6.7516   YY=              6.7472   ZZ=            -13.4988
   XY=             -0.0017   XZ=             -0.0012   YZ=             -0.0019
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             20.5679  YYY=            -30.8049  ZZZ=              0.0136  XYY=            -20.5593
  XXY=             30.8107  XXZ=              0.0030  XZZ=              0.0112  YZZ=             -0.0005
  YYZ=             -0.0017  XYZ=              0.0013
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -949.7062 YYYY=           -949.5196 ZZZZ=           -404.8521 XXXY=             -0.0265
 XXXZ=            -31.2664 YYYX=             -0.0183 YYYZ=            -20.8646 ZZZX=             -0.0079
 ZZZY=             -0.0120 XXYY=           -316.5503 XXZZ=           -236.3759 YYZZ=           -236.3529
 XXYZ=             20.8369 YYXZ=             31.2576 ZZXY=              0.0013
 N-N= 1.198145727781D+03 E-N=-3.904269337621D+03  KE= 6.072232905627D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul  9 04:18:59 2021, MaxMem= 10737418240 cpu:              13.3 elap:               1.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.91296448D-04 1.38903366D-04 8.50858411D-04
 Polarizability= 1.47873068D+02-2.36766975D-03 1.47869736D+02
                -9.99417547D-05-2.53382388D-03 1.22516732D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0011    0.0022        0.0002   -0.0009
 2     -0.0011   -0.0022        0.0033    0.0008       -0.0037   -0.0098
 3     -0.0002    0.0009       12.8414   12.8534       -0.0046   -0.0008
 4     -0.0033   -0.0008        0.0000    0.0000        0.0040    0.0009
 5    -12.8377  -12.8436       -0.0040   -0.0009       -0.0017    0.0022
 6      0.0046    0.0008        0.0017   -0.0022       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0065   -0.0065       -0.0027   -0.0027
 2     -0.0023   -0.0023       -0.0000    0.0000       -0.0027   -0.0027
 3     -0.0023   -0.0023       -0.0065   -0.0065        0.0000    0.0000
 4     -0.0065   -0.0065        0.0023    0.0023       -0.0295   -0.0295
 5      0.0027    0.0027       38.5602   38.5602       -0.0023   -0.0023
 6    -38.5307  -38.5307       -0.0027   -0.0027        0.0065    0.0065
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0497    0.0000       -0.6743   -0.0087       -0.0410    0.0036
 2      0.3556    0.0087        0.0103   -0.0030        0.1825    0.0394
 3      0.2784   -0.0036      -51.2999  -51.4136       -0.1927    0.0030
 4      0.2628    0.0030       -0.3422    0.0000       -0.4094   -0.0036
 5     51.6196   51.3742        0.0879    0.0036        0.0687   -0.0087
 6      0.0044   -0.0030       -0.0902    0.0087       -0.1303    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1691    0.0000       -0.2979    0.0420       -0.5896    0.0054
 2      0.2121   -0.0420       -0.4503   -0.0162        0.5217   -0.0239
 3     -0.1132   -0.0054       -4.8432   -4.6432       -0.7008    0.0162
 4      0.0362    0.0162       -1.2794    0.0000       -0.5380   -0.0054
 5      5.0631    4.6671       -0.5204    0.0054       -1.3321    0.0420
 6     -0.2643   -0.0162        1.1759   -0.0420        0.8350    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -57.4375  -57.0808      -85.5190  -85.5610        0.0951    0.0176
 2    -56.9990  -57.1027      -85.7255  -85.5306        0.0264    0.0176
 3    -57.1039  -57.1027      -85.6514  -85.5610       -0.0033    0.0058
 4      0.4939   -0.0304        0.3889    0.0219        0.1486    0.0130
 5     -0.2166   -0.0118      -34.6185  -34.3337       -0.1189   -0.0219
 6     33.8762   34.3207       -0.3874    0.0118       -0.6292    0.0304
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.2086   -0.0004   -0.0003    0.0004    3.3662   11.2833
 Low frequencies ---   79.3119   82.1585   89.6210
 Diagonal vibrational polarizability:
       12.5681142      12.4987150      14.3707008
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     79.3063                82.1497                89.6203
 Red. masses --      2.9290                 2.9306                 2.8178
 Frc consts  --      0.0109                 0.0117                 0.0133
 IR Inten    --      0.0043                 0.0049                 0.0046
 RamAct Fr= 1--      1.1353                 1.0890                 0.0422
  Dep-P Fr= 1--      0.7499                 0.7499                 0.7490
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8565
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1622                 0.1556                 0.0060
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.5365                -0.5550                -0.0221
 Delta2 Fr= 1--     -0.0630                -0.0671                -0.0032
 Raman1 Fr= 1--       4.541                  4.356                  0.169
 ROA1   Fr= 1--     -53.521                -55.432                 -2.227
 CID1   Fr= 1--     -11.786                -12.725                -13.183
 Raman2 Fr= 1--       1.946                  1.867                  0.072
 ROA2   Fr= 1--     -12.371                -12.784                 -0.505
 CID2   Fr= 1--      -6.358                 -6.848                 -6.979
 Raman3 Fr= 1--       3.892                  3.734                  0.145
 ROA3   Fr= 1--     -53.521                -55.432                 -2.227
 CID3   Fr= 1--     -13.752                -14.847                -15.392
 RC180  Fr= 1--       0.714                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.06  -0.01     0.18  -0.05  -0.04     0.06  -0.08  -0.11
     2   6     0.06  -0.05  -0.02     0.17  -0.00  -0.04     0.09   0.05  -0.11
     3   7     0.02  -0.06  -0.01    -0.01  -0.04   0.03    -0.04   0.05   0.04
     4  45    -0.02  -0.04   0.00    -0.04   0.02  -0.01    -0.01   0.00   0.05
     5   7    -0.04  -0.03   0.03     0.03   0.05   0.02    -0.05  -0.03   0.03
     6   7    -0.07   0.01   0.01    -0.02   0.03  -0.04     0.06  -0.03   0.02
     7   6    -0.06   0.15  -0.05    -0.03  -0.14   0.06     0.04   0.04  -0.09
     8   6    -0.09   0.10  -0.04     0.05  -0.15   0.06    -0.06  -0.01  -0.09
     9   7     0.01  -0.02   0.04    -0.04  -0.03  -0.01    -0.04  -0.07   0.03
    10   7     0.05  -0.02  -0.02    -0.06  -0.01  -0.04     0.06   0.01   0.03
    11   6     0.11   0.16   0.06    -0.02   0.07   0.03     0.01  -0.06  -0.10
    12   6     0.15   0.10   0.06     0.04   0.08   0.04    -0.07   0.02  -0.10
    13   7    -0.03   0.01  -0.04    -0.02   0.05   0.01    -0.00   0.08   0.03
    14   1    -0.07   0.19  -0.06     0.05  -0.26   0.13    -0.07   0.03  -0.16
    15   1    -0.20   0.04  -0.08     0.19  -0.11   0.05    -0.15  -0.04  -0.10
    16   1    -0.13   0.23  -0.10     0.05  -0.21   0.10     0.03   0.08  -0.16
    17   1     0.06   0.20  -0.03    -0.16  -0.17   0.09     0.13   0.07  -0.10
    18   1     0.24   0.21   0.11     0.01   0.08   0.04    -0.03  -0.10  -0.17
    19   1    -0.01   0.27   0.06    -0.08   0.10   0.07     0.09  -0.13  -0.10
    20   1     0.18   0.23   0.10     0.07   0.14   0.09    -0.10  -0.02  -0.17
    21   1     0.27  -0.01   0.08     0.11   0.04   0.01    -0.15   0.10  -0.11
    22   1     0.10  -0.07  -0.05     0.26  -0.08  -0.07     0.16   0.02  -0.19
    23   1     0.09  -0.00   0.01     0.19   0.14  -0.06     0.11   0.20  -0.12
    24   1     0.03  -0.04  -0.01     0.30  -0.01  -0.08     0.15  -0.07  -0.20
    25   1    -0.01  -0.09  -0.05     0.15  -0.19  -0.04     0.03  -0.22  -0.12
    26   1    -0.03  -0.00   0.08     0.08   0.16   0.09    -0.02   0.04   0.14
    27   1    -0.10  -0.02   0.03    -0.05   0.05   0.01    -0.18  -0.07   0.03
    28   1     0.02  -0.09  -0.02    -0.00  -0.15   0.12    -0.04  -0.03   0.15
    29   1     0.02  -0.05  -0.01    -0.10   0.00   0.02    -0.15   0.14   0.03
    30   1    -0.10   0.11  -0.14    -0.05   0.08  -0.01     0.02   0.04   0.12
    31   1    -0.08  -0.10  -0.03    -0.02   0.02   0.01     0.02   0.20   0.03
    32   1     0.15  -0.08  -0.11    -0.01  -0.02  -0.11     0.01   0.02   0.10
    33   1    -0.04  -0.08  -0.02    -0.13  -0.05  -0.03     0.16   0.03   0.02
    34   1    -0.16  -0.01   0.06     0.07   0.03  -0.15     0.02  -0.03   0.10
    35   1    -0.02  -0.04   0.00    -0.10   0.13  -0.03     0.14  -0.09   0.02
    36   1     0.08   0.03   0.13    -0.12  -0.08  -0.08    -0.01  -0.04   0.11
    37   1     0.02  -0.13   0.03    -0.03   0.06  -0.01    -0.06  -0.17   0.03
                      4                      5                      6
                      A                      A                      A
 Frequencies --    145.4431               146.0857               167.3231
 Red. masses --      2.9558                 2.9495                 2.6774
 Frc consts  --      0.0368                 0.0371                 0.0442
 IR Inten    --      0.9057                 0.8614                 0.0103
 RamAct Fr= 1--      0.3159                 0.3270                 1.4278
  Dep-P Fr= 1--      0.7500                 0.7491                 0.6873
  Dep-U Fr= 1--      0.8571                 0.8566                 0.8147
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0016
 Beta2  Fr= 1--      0.0451                 0.0467                 0.1939
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0138
 Gamma2 Fr= 1--      0.8176                 0.8426                -1.6619
 Delta2 Fr= 1--      0.1593                 0.1658                -0.2951
 Raman1 Fr= 1--       1.264                  1.308                  5.711
 ROA1   Fr= 1--      83.583                 86.193               -168.988
 CID1   Fr= 1--      66.136                 65.887                -29.588
 Raman2 Fr= 1--       0.542                  0.560                  2.326
 ROA2   Fr= 1--      18.347                 18.896                -37.526
 CID2   Fr= 1--      33.873                 33.725                -16.130
 Raman3 Fr= 1--       1.083                  1.121                  4.653
 ROA3   Fr= 1--      83.583                 86.193               -168.988
 CID3   Fr= 1--      77.159                 76.920                -36.318
 RC180  Fr= 1--       0.714                  0.713                  0.629
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.05   0.07     0.11  -0.03   0.06     0.08  -0.04  -0.01
     2   6     0.12  -0.02   0.05    -0.04  -0.04   0.07    -0.10  -0.00   0.01
     3   7     0.11  -0.04  -0.05    -0.08  -0.04   0.08    -0.09   0.02   0.07
     4  45    -0.01   0.01   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
     5   7    -0.06   0.06   0.08     0.12  -0.00  -0.05     0.08  -0.02  -0.07
     6   7     0.06  -0.04  -0.00     0.01  -0.12   0.09    -0.02   0.09  -0.07
     7   6     0.04  -0.07  -0.08    -0.01  -0.09   0.03    -0.00   0.10  -0.01
     8   6    -0.02  -0.04  -0.09    -0.06   0.10   0.01     0.06  -0.09   0.01
     9   7    -0.05  -0.02  -0.04    -0.05   0.12  -0.08     0.04  -0.09   0.07
    10   7     0.05   0.11   0.09     0.08   0.03   0.01     0.05   0.07   0.07
    11   6     0.03   0.09   0.04     0.07   0.06  -0.08     0.04   0.09   0.01
    12   6    -0.10  -0.07   0.01    -0.01   0.04  -0.09    -0.08  -0.06  -0.01
    13   7    -0.09  -0.09  -0.08    -0.05   0.03  -0.05    -0.06  -0.07  -0.07
    14   1    -0.04  -0.05  -0.14    -0.07   0.17  -0.07     0.07  -0.17   0.10
    15   1    -0.04  -0.03  -0.06    -0.11   0.16   0.14     0.13  -0.14  -0.12
    16   1     0.08  -0.10  -0.09     0.01  -0.14   0.12    -0.05   0.17  -0.10
    17   1     0.04  -0.09  -0.12    -0.01  -0.16  -0.10     0.02   0.18   0.12
    18   1     0.07   0.13   0.13     0.12   0.07  -0.07     0.10   0.13   0.10
    19   1     0.05   0.16  -0.09     0.08   0.09  -0.13     0.05   0.17  -0.11
    20   1    -0.13  -0.14  -0.06    -0.03   0.05  -0.14    -0.12  -0.13  -0.09
    21   1    -0.16  -0.11   0.15    -0.04   0.03  -0.05    -0.16  -0.08   0.12
    22   1     0.17  -0.05   0.00    -0.08  -0.04   0.16    -0.17   0.03   0.09
    23   1     0.17  -0.01   0.15    -0.10  -0.05  -0.02    -0.17  -0.03  -0.11
    24   1    -0.06   0.06   0.15     0.18  -0.02   0.01     0.16  -0.04  -0.09
    25   1    -0.07   0.08  -0.03     0.16  -0.05   0.16     0.14  -0.10   0.11
    26   1    -0.05   0.06   0.16     0.11   0.03  -0.16     0.08   0.00  -0.14
    27   1    -0.13   0.12   0.07     0.23  -0.01  -0.04     0.15  -0.04  -0.06
    28   1     0.09  -0.07  -0.17    -0.07  -0.04   0.16    -0.08   0.04   0.14
    29   1     0.22  -0.07  -0.04    -0.16  -0.06   0.07    -0.17   0.03   0.06
    30   1    -0.06  -0.10  -0.22    -0.06   0.04  -0.07    -0.04  -0.08  -0.15
    31   1    -0.18  -0.18  -0.06    -0.10   0.04  -0.05    -0.12  -0.13  -0.06
    32   1     0.05   0.08   0.21     0.10   0.00   0.07     0.07   0.05   0.14
    33   1     0.10   0.21   0.08     0.14   0.05   0.00     0.09   0.13   0.06
    34   1     0.09  -0.03   0.05     0.01  -0.10   0.21    -0.05   0.08  -0.15
    35   1     0.11  -0.08  -0.00     0.02  -0.24   0.07    -0.04   0.17  -0.06
    36   1    -0.07  -0.03  -0.05    -0.02   0.11  -0.21     0.00  -0.09   0.15
    37   1    -0.10  -0.02  -0.04    -0.10   0.23  -0.06     0.07  -0.17   0.06
                      7                      8                      9
                      A                      A                      A
 Frequencies --    217.6300               219.9432               225.8217
 Red. masses --      2.8494                 2.8634                 2.9493
 Frc consts  --      0.0795                 0.0816                 0.0886
 IR Inten    --      3.9561                 3.8975                18.2078
 RamAct Fr= 1--      2.9454                 2.9742                 0.0441
  Dep-P Fr= 1--      0.7497                 0.7500                 0.7392
  Dep-U Fr= 1--      0.8570                 0.8571                 0.8500
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4207                 0.4249                 0.0062
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--      0.3096                 0.3161                 0.0004
 Delta2 Fr= 1--      0.2136                 0.2083                 0.0004
 Raman1 Fr= 1--      11.782                 11.897                  0.176
 ROA1   Fr= 1--      36.553                 37.014                  0.053
 CID1   Fr= 1--       3.103                  3.111                  0.300
 Raman2 Fr= 1--       5.048                  5.099                  0.075
 ROA2   Fr= 1--       5.721                  5.921                  0.007
 CID2   Fr= 1--       1.133                  1.161                  0.088
 Raman3 Fr= 1--      10.096                 10.197                  0.150
 ROA3   Fr= 1--      36.553                 37.014                  0.053
 CID3   Fr= 1--       3.620                  3.630                  0.353
 RC180  Fr= 1--       0.714                  0.714                  0.700
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.01    -0.05  -0.09   0.00    -0.03  -0.01  -0.04
     2   6     0.01  -0.07   0.00     0.01  -0.08  -0.00    -0.03   0.01  -0.04
     3   7     0.14  -0.06  -0.11    -0.01  -0.07   0.03     0.09   0.04  -0.04
     4  45    -0.00  -0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00   0.08
     5   7     0.12  -0.03  -0.11    -0.10  -0.05   0.03     0.06  -0.08  -0.04
     6   7    -0.06  -0.01   0.02    -0.08   0.12  -0.10     0.03   0.12  -0.06
     7   6    -0.07   0.01  -0.01    -0.08   0.01   0.01     0.01  -0.02  -0.04
     8   6    -0.08  -0.07  -0.00     0.02   0.02   0.01     0.01  -0.02  -0.04
     9   7    -0.05  -0.10   0.03    -0.03   0.10  -0.10    -0.09   0.08  -0.06
    10   7     0.01   0.07   0.07     0.13   0.07   0.08     0.00  -0.11  -0.04
    11   6    -0.02   0.01  -0.01     0.10  -0.03  -0.00     0.03   0.01  -0.04
    12   6    -0.05   0.09  -0.01     0.01  -0.02  -0.00     0.02   0.01  -0.04
    13   7     0.03   0.13   0.07     0.08   0.02   0.08    -0.10  -0.03  -0.04
    14   1    -0.07  -0.06   0.02     0.03  -0.05   0.09    -0.01  -0.12  -0.03
    15   1    -0.09  -0.10  -0.05     0.14   0.05   0.01     0.12   0.02  -0.03
    16   1    -0.08   0.03  -0.06    -0.03  -0.05   0.07     0.09  -0.09  -0.03
    17   1    -0.04   0.04   0.04    -0.20  -0.03   0.03    -0.10  -0.06  -0.04
    18   1    -0.07  -0.02  -0.08     0.04  -0.06  -0.02     0.12   0.04  -0.04
    19   1     0.04  -0.06   0.01     0.18  -0.09  -0.04    -0.04   0.07  -0.04
    20   1    -0.06   0.05  -0.03    -0.03  -0.09  -0.08     0.03   0.11  -0.04
    21   1    -0.10   0.16  -0.04    -0.09   0.04   0.02     0.09  -0.05  -0.03
    22   1    -0.06  -0.03   0.06     0.05  -0.09  -0.05    -0.09   0.07  -0.05
    23   1    -0.01  -0.21   0.02     0.04  -0.03   0.04    -0.04  -0.08  -0.04
    24   1    -0.07   0.02   0.08    -0.03  -0.07   0.02    -0.11  -0.04  -0.04
    25   1     0.04   0.17   0.01    -0.08  -0.12  -0.04    -0.02   0.07  -0.04
    26   1     0.09  -0.07  -0.29    -0.08  -0.04   0.10     0.03  -0.11  -0.16
    27   1     0.30  -0.07  -0.09    -0.16  -0.03   0.02     0.17  -0.16  -0.02
    28   1     0.12  -0.01  -0.29    -0.01  -0.09   0.08     0.08   0.08  -0.17
    29   1     0.32  -0.09  -0.09    -0.06  -0.07   0.02     0.23   0.07  -0.02
    30   1     0.03   0.10   0.20     0.10  -0.02   0.21    -0.12   0.01  -0.19
    31   1     0.11   0.23   0.06     0.17   0.13   0.07    -0.24  -0.10  -0.02
    32   1    -0.02   0.07   0.18     0.10   0.07   0.23     0.05  -0.12  -0.18
    33   1     0.09   0.14   0.06     0.22   0.18   0.07    -0.05  -0.25  -0.02
    34   1    -0.08  -0.01   0.05    -0.04   0.10  -0.26     0.08   0.11  -0.22
    35   1    -0.05  -0.03   0.02    -0.14   0.27  -0.08     0.03   0.29  -0.03
    36   1    -0.05  -0.09   0.08    -0.06   0.07  -0.25    -0.13   0.04  -0.22
    37   1    -0.04  -0.14   0.02    -0.08   0.25  -0.08    -0.20   0.22  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    251.8832               289.5113               290.1385
 Red. masses --      4.9302                 2.0243                 2.0434
 Frc consts  --      0.1843                 0.1000                 0.1013
 IR Inten    --      0.0006                 1.4305                 1.5222
 RamAct Fr= 1--     15.3344                 0.8166                 0.8454
  Dep-P Fr= 1--      0.0644                 0.7471                 0.7498
  Dep-U Fr= 1--      0.1209                 0.8552                 0.8570
 Alpha2 Fr= 1--      0.2927                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3091                 0.1164                 0.1208
 AlphaG Fr= 1--      0.3028                -0.0000                -0.0000
 Gamma2 Fr= 1--      5.9541                 0.4288                 0.4105
 Delta2 Fr= 1--      0.3299                -0.1798                -0.1806
 Raman1 Fr= 1--      61.337                  3.266                  3.382
 ROA1   Fr= 1--     582.148                 35.414                 33.628
 CID1   Fr= 1--       9.491                 10.842                  9.944
 Raman2 Fr= 1--       3.709                  1.397                  1.449
 ROA2   Fr= 1--     140.258                 11.730                 11.297
 CID2   Fr= 1--      37.818                  8.398                  7.796
 Raman3 Fr= 1--       7.418                  2.793                  2.898
 ROA3   Fr= 1--     582.148                 35.414                 33.628
 CID3   Fr= 1--      78.483                 12.678                 11.603
 RC180  Fr= 1--      -0.758                  0.710                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.18   0.00     0.06  -0.07  -0.00    -0.05   0.09   0.01
     2   6     0.03   0.18  -0.00    -0.07  -0.07   0.01     0.08   0.04  -0.00
     3   7    -0.04   0.14  -0.02     0.04  -0.03  -0.03    -0.05  -0.01  -0.01
     4  45    -0.00  -0.00  -0.00    -0.02   0.03  -0.00    -0.03  -0.02   0.00
     5   7     0.08   0.12   0.02    -0.04   0.03  -0.01     0.05   0.01  -0.03
     6   7    -0.15   0.01   0.02     0.03  -0.01   0.03     0.01  -0.06   0.00
     7   6    -0.18  -0.05   0.00     0.04   0.03  -0.01     0.05   0.12  -0.01
     8   6    -0.17  -0.07  -0.00     0.02  -0.03  -0.00     0.12  -0.05   0.01
     9   7    -0.11  -0.10  -0.02    -0.03   0.01   0.02    -0.02   0.06  -0.02
    10   7     0.14  -0.04  -0.02     0.04   0.06   0.01     0.03  -0.01   0.03
    11   6     0.14  -0.11  -0.00     0.00  -0.13  -0.01     0.02  -0.03  -0.01
    12   6     0.13  -0.13   0.00     0.13   0.01   0.01     0.02   0.02  -0.00
    13   7     0.06  -0.13   0.02    -0.04  -0.05  -0.02    -0.03   0.00   0.03
    14   1    -0.15  -0.01   0.02     0.01  -0.10   0.01     0.11  -0.26   0.13
    15   1    -0.20  -0.08  -0.01     0.08  -0.03  -0.04     0.33  -0.06  -0.11
    16   1    -0.12  -0.08  -0.02     0.01   0.08  -0.06    -0.09   0.27  -0.11
    17   1    -0.21  -0.06   0.01     0.09   0.08   0.03     0.21   0.25   0.12
    18   1     0.08  -0.13   0.02    -0.19  -0.22  -0.12    -0.00  -0.06  -0.05
    19   1     0.17  -0.14  -0.01     0.10  -0.31   0.12     0.05  -0.08   0.02
    20   1     0.13  -0.07  -0.02     0.20   0.20   0.13     0.03   0.07  -0.00
    21   1     0.16  -0.15   0.01     0.32  -0.07  -0.11     0.05   0.01  -0.03
    22   1     0.06   0.13   0.02    -0.19   0.01   0.10     0.21  -0.06  -0.07
    23   1     0.03   0.22  -0.01    -0.15  -0.19  -0.07     0.16   0.17   0.09
    24   1    -0.00   0.15  -0.02     0.21  -0.03  -0.07    -0.19   0.07   0.11
    25   1     0.06   0.21   0.01     0.08  -0.20   0.08    -0.07   0.24  -0.08
    26   1     0.08   0.11   0.00    -0.01   0.10   0.05     0.01  -0.04  -0.15
    27   1     0.10   0.11   0.02    -0.10   0.04  -0.02     0.16  -0.01  -0.02
    28   1    -0.03   0.13   0.01     0.02   0.02  -0.14    -0.05  -0.09   0.06
    29   1    -0.06   0.14  -0.02     0.14  -0.06  -0.02    -0.12   0.00  -0.02
    30   1     0.05  -0.12  -0.00    -0.08   0.03  -0.16    -0.06   0.03   0.04
    31   1     0.04  -0.15   0.02    -0.12  -0.15  -0.01    -0.03   0.01   0.03
    32   1     0.12  -0.03   0.01    -0.05   0.10   0.13     0.02  -0.02   0.09
    33   1     0.15  -0.02  -0.02     0.12   0.15  -0.00     0.07   0.03   0.02
    34   1    -0.13   0.01  -0.00     0.02   0.00   0.10    -0.09  -0.07   0.12
    35   1    -0.15   0.04   0.02     0.06  -0.07   0.02     0.05  -0.17  -0.01
    36   1    -0.09  -0.09   0.01    -0.08  -0.01   0.02    -0.09   0.01  -0.16
    37   1    -0.09  -0.12  -0.02    -0.04   0.02   0.02    -0.05   0.19  -0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    311.9051               332.0750               332.8181
 Red. masses --      1.7074                 3.3015                 3.3205
 Frc consts  --      0.0979                 0.2145                 0.2167
 IR Inten    --      0.0010                 6.6984                 6.7156
 RamAct Fr= 1--      2.0648                 1.9192                 1.9157
  Dep-P Fr= 1--      0.4100                 0.7497                 0.7496
  Dep-U Fr= 1--      0.5815                 0.8570                 0.8569
 Alpha2 Fr= 1--      0.0148                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2001                 0.2741                 0.2736
 AlphaG Fr= 1--     -0.0453                 0.0000                 0.0000
 Gamma2 Fr= 1--     -2.7234                -2.9430                -2.9416
 Delta2 Fr= 1--     -0.3302                -0.1758                -0.1769
 Raman1 Fr= 1--       8.259                  7.677                  7.663
 ROA1   Fr= 1--    -272.017               -288.148               -288.052
 CID1   Fr= 1--     -32.936                -37.535                -37.591
 Raman2 Fr= 1--       2.402                  3.289                  3.283
 ROA2   Fr= 1--     -62.721                -69.225                -69.183
 CID2   Fr= 1--     -26.117                -21.045                -21.073
 Raman3 Fr= 1--       4.803                  6.579                  6.566
 ROA3   Fr= 1--    -272.017               -288.148               -288.052
 CID3   Fr= 1--     -56.634                -43.800                -43.870
 RC180  Fr= 1--       0.163                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.03   0.00    -0.05  -0.05   0.01    -0.08  -0.06  -0.00
     2   6     0.07   0.00  -0.00     0.02   0.01   0.01     0.06  -0.11  -0.00
     3   7    -0.05  -0.03   0.05     0.00   0.02   0.09    -0.03  -0.11   0.05
     4  45     0.00  -0.00  -0.00     0.09   0.01   0.00    -0.01   0.09  -0.00
     5   7     0.03  -0.05  -0.05    -0.01  -0.08   0.04    -0.01  -0.08  -0.10
     6   7     0.02   0.05  -0.05    -0.10  -0.04   0.06     0.03   0.01   0.09
     7   6     0.01  -0.06   0.00    -0.12   0.05  -0.00     0.02   0.01   0.01
     8   6    -0.03   0.06  -0.00    -0.05  -0.10  -0.00    -0.05  -0.04   0.01
     9   7     0.05  -0.03   0.05    -0.08  -0.02  -0.09    -0.07  -0.02   0.05
    10   7    -0.00   0.06   0.05    -0.08   0.07   0.00     0.03  -0.03  -0.11
    11   6    -0.03  -0.06  -0.00    -0.11   0.01  -0.01     0.06   0.01  -0.00
    12   6     0.05   0.04   0.00     0.00   0.05  -0.01     0.03  -0.11  -0.01
    13   7    -0.06  -0.00  -0.05    -0.02   0.02  -0.10     0.09  -0.07   0.01
    14   1    -0.03   0.18  -0.09    -0.03  -0.19   0.13    -0.06  -0.07  -0.01
    15   1    -0.17   0.06   0.07     0.09  -0.11  -0.09    -0.04  -0.05  -0.01
    16   1     0.09  -0.16   0.09    -0.17   0.13  -0.11     0.03   0.03  -0.06
    17   1    -0.10  -0.15  -0.08    -0.02   0.13   0.09     0.05   0.03   0.03
    18   1    -0.15  -0.12  -0.10    -0.17  -0.02  -0.05     0.11   0.07   0.12
    19   1     0.04  -0.18   0.08    -0.08  -0.06   0.05     0.01   0.11  -0.07
    20   1     0.10   0.16   0.10     0.05   0.09   0.11    -0.00  -0.18  -0.06
    21   1     0.18  -0.01  -0.08     0.10   0.02  -0.07    -0.06  -0.09   0.06
    22   1     0.18  -0.07  -0.10     0.05   0.02  -0.08     0.15  -0.15  -0.11
    23   1     0.14   0.13   0.08     0.05   0.07   0.04     0.13  -0.01   0.09
    24   1    -0.20   0.01   0.10    -0.09  -0.07   0.00    -0.18  -0.05   0.13
    25   1    -0.08   0.17  -0.08    -0.06  -0.03  -0.02    -0.11   0.08  -0.09
    26   1    -0.00  -0.11  -0.17    -0.02  -0.13   0.09    -0.05  -0.12  -0.29
    27   1     0.17  -0.06  -0.03    -0.06  -0.07   0.04     0.18  -0.15  -0.07
    28   1    -0.04  -0.10   0.17     0.03   0.03   0.24    -0.02  -0.18   0.18
    29   1    -0.17   0.00   0.03    -0.16   0.03   0.07    -0.17  -0.10   0.04
    30   1    -0.09   0.06  -0.17    -0.02   0.05  -0.29     0.12  -0.12   0.06
    31   1    -0.14  -0.11  -0.03    -0.17  -0.11  -0.08     0.13  -0.03   0.00
    32   1    -0.07   0.08   0.17    -0.13   0.11   0.03     0.06  -0.02  -0.30
    33   1     0.09   0.15   0.04    -0.06   0.11  -0.00    -0.09  -0.20  -0.08
    34   1     0.09   0.05  -0.17    -0.18  -0.04   0.20     0.04   0.03   0.22
    35   1    -0.03   0.17  -0.03    -0.07  -0.19   0.04     0.06  -0.13   0.07
    36   1     0.10   0.02   0.17    -0.13  -0.07  -0.28    -0.11  -0.03   0.13
    37   1     0.08  -0.15   0.03    -0.18   0.16  -0.07    -0.04  -0.09   0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    402.3115               403.0990               403.5553
 Red. masses --      4.0000                 4.4349                 4.1794
 Frc consts  --      0.3814                 0.4246                 0.4010
 IR Inten    --      0.4422                 0.3988                 0.3922
 RamAct Fr= 1--      2.6891                 1.6901                 2.2387
  Dep-P Fr= 1--      0.7499                 0.7478                 0.7498
  Dep-U Fr= 1--      0.8571                 0.8557                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.3841                 0.2410                 0.3198
 AlphaG Fr= 1--     -0.0000                 0.0002                 0.0000
 Gamma2 Fr= 1--      0.6200                 0.4210                 0.5386
 Delta2 Fr= 1--      0.2085                 0.1300                 0.1727
 Raman1 Fr= 1--      10.756                  6.761                  8.955
 ROA1   Fr= 1--      66.190                 44.571                 57.230
 CID1   Fr= 1--       6.154                  6.593                  6.391
 Raman2 Fr= 1--       4.609                  2.893                  3.837
 ROA2   Fr= 1--      13.212                  9.063                 11.545
 CID2   Fr= 1--       2.866                  3.133                  3.009
 Raman3 Fr= 1--       9.219                  5.785                  7.675
 ROA3   Fr= 1--      66.190                 44.571                 57.230
 CID3   Fr= 1--       7.180                  7.704                  7.457
 RC180  Fr= 1--       0.714                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.07  -0.04     0.01   0.10  -0.08    -0.00  -0.05   0.04
     2   6    -0.01  -0.03  -0.04    -0.04  -0.12  -0.08     0.02   0.05   0.04
     3   7    -0.04  -0.05  -0.02    -0.14  -0.17  -0.11     0.05   0.06   0.03
     4  45     0.00  -0.07   0.04     0.05   0.03   0.07    -0.06   0.02   0.06
     5   7    -0.04   0.12  -0.07    -0.05   0.18  -0.09     0.02  -0.08   0.03
     6   7     0.08   0.08   0.05    -0.10  -0.11  -0.08    -0.10  -0.11  -0.07
     7   6     0.06   0.03   0.05    -0.07  -0.04  -0.05    -0.08  -0.03  -0.07
     8   6    -0.06  -0.01   0.05     0.05   0.02  -0.05     0.11   0.02  -0.07
     9   7    -0.09   0.01   0.04     0.10  -0.02  -0.04     0.19  -0.03  -0.10
    10   7    -0.07   0.19  -0.10     0.01  -0.02   0.01    -0.04   0.11  -0.05
    11   6    -0.08   0.09  -0.07     0.01  -0.02   0.02    -0.04   0.04  -0.05
    12   6     0.07  -0.06  -0.07    -0.03   0.02   0.02     0.08  -0.05  -0.05
    13   7     0.16  -0.04  -0.07    -0.04   0.01   0.02     0.16  -0.04  -0.08
    14   1    -0.09  -0.00  -0.04     0.09   0.05   0.04     0.17   0.07   0.09
    15   1    -0.09   0.00   0.09     0.05   0.01  -0.07     0.14   0.00  -0.12
    16   1     0.09   0.05  -0.05    -0.14  -0.03   0.06    -0.14  -0.04   0.06
    17   1     0.08   0.06   0.09    -0.08  -0.05  -0.08    -0.09  -0.06  -0.11
    18   1    -0.15   0.13   0.09    -0.00  -0.04  -0.02    -0.09   0.06   0.04
    19   1    -0.08   0.13  -0.13     0.02  -0.04   0.05    -0.04   0.06  -0.09
    20   1     0.12  -0.11   0.07    -0.05   0.00  -0.02     0.11  -0.11   0.07
    21   1     0.11  -0.05  -0.12    -0.06   0.02   0.05     0.10  -0.05  -0.09
    22   1    -0.00  -0.06   0.02    -0.03  -0.21   0.10     0.04   0.06  -0.04
    23   1    -0.02  -0.04  -0.06    -0.07  -0.13  -0.14     0.04   0.07   0.08
    24   1     0.03   0.11   0.06     0.05   0.17   0.08     0.01  -0.08  -0.04
    25   1    -0.01   0.08  -0.06    -0.01   0.13  -0.13     0.01  -0.08   0.08
    26   1    -0.02   0.16  -0.07    -0.03   0.21   0.01     0.00  -0.04  -0.19
    27   1    -0.04   0.14  -0.07    -0.15   0.17  -0.09     0.20  -0.19   0.06
    28   1    -0.04  -0.06   0.01    -0.14  -0.23  -0.04     0.01   0.02  -0.19
    29   1    -0.06  -0.00  -0.02    -0.23  -0.17  -0.12     0.26   0.09   0.06
    30   1     0.15  -0.06   0.06     0.01   0.00  -0.18     0.19  -0.08  -0.06
    31   1     0.23   0.06  -0.08    -0.22  -0.07   0.05     0.20  -0.02  -0.09
    32   1    -0.11   0.20   0.01    -0.01   0.03  -0.20    -0.06   0.11  -0.00
    33   1    -0.02   0.30  -0.12    -0.06  -0.20   0.03     0.02   0.11  -0.05
    34   1     0.06   0.05  -0.16    -0.16  -0.13  -0.10    -0.13  -0.10   0.02
    35   1     0.09   0.29   0.08    -0.10  -0.10  -0.08    -0.05  -0.18  -0.07
    36   1    -0.05  -0.00  -0.18     0.13  -0.01  -0.04     0.24  -0.00  -0.03
    37   1    -0.21   0.18   0.07     0.05  -0.04  -0.04     0.24  -0.10  -0.11
                     19                     20                     21
                      A                      A                      A
 Frequencies --    462.0651               462.7682               505.7485
 Red. masses --      4.0278                 4.0376                 4.5179
 Frc consts  --      0.5067                 0.5094                 0.6809
 IR Inten    --      7.5279                 7.5500                 0.0010
 RamAct Fr= 1--      4.4706                 4.5207                39.9971
  Dep-P Fr= 1--      0.7500                 0.7499                 0.0007
  Dep-U Fr= 1--      0.8571                 0.8571                 0.0015
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.8873
 Beta2  Fr= 1--      0.6386                 0.6458                 0.0097
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.7647
 Gamma2 Fr= 1--      1.6250                 1.5700                -0.4854
 Delta2 Fr= 1--      0.1765                 0.1768                 0.0742
 Raman1 Fr= 1--      17.882                 18.083                159.988
 ROA1   Fr= 1--     161.650                156.380                -44.223
 CID1   Fr= 1--       9.040                  8.648                 -0.276
 Raman2 Fr= 1--       7.664                  7.749                  0.116
 ROA2   Fr= 1--      37.588                 36.267                -12.244
 CID2   Fr= 1--       4.905                  4.680               -105.125
 Raman3 Fr= 1--      15.327                 15.499                  0.233
 ROA3   Fr= 1--     161.650                156.380                -44.223
 CID3   Fr= 1--      10.547                 10.090               -189.853
 RC180  Fr= 1--       0.714                  0.714                 -0.997
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.02    -0.03  -0.03   0.00     0.02   0.01   0.01
     2   6    -0.01   0.04   0.01     0.03  -0.01   0.01    -0.02   0.02  -0.01
     3   7    -0.05  -0.01  -0.09     0.16   0.08   0.18    -0.13  -0.06  -0.15
     4  45     0.03   0.01   0.00     0.01  -0.03   0.00     0.00  -0.00  -0.00
     5   7     0.08  -0.11   0.12    -0.09   0.08  -0.16     0.10  -0.11   0.15
     6   7    -0.05  -0.17  -0.20    -0.03  -0.05  -0.03     0.05   0.14   0.15
     7   6     0.03  -0.03  -0.01    -0.02  -0.01  -0.02    -0.02   0.01   0.01
     8   6     0.01   0.04   0.01     0.03   0.01  -0.02    -0.01  -0.02  -0.01
     9   7    -0.14   0.11   0.20     0.04  -0.01  -0.01     0.12  -0.08  -0.15
    10   7    -0.00   0.13  -0.11     0.02   0.13  -0.17     0.01   0.14  -0.15
    11   6     0.00   0.02  -0.02     0.04   0.00   0.00     0.02   0.01  -0.01
    12   6     0.02  -0.03  -0.01    -0.02  -0.03   0.01    -0.00  -0.03   0.01
    13   7    -0.03  -0.02   0.07    -0.18  -0.04   0.19    -0.14  -0.03   0.15
    14   1    -0.06  -0.10  -0.10     0.04   0.01   0.01     0.05   0.09   0.07
    15   1     0.04   0.06   0.03     0.03  -0.00  -0.04    -0.04  -0.04  -0.02
    16   1    -0.11   0.04   0.10    -0.04  -0.01   0.02     0.10  -0.05  -0.07
    17   1     0.07  -0.02  -0.03    -0.01  -0.02  -0.04    -0.07  -0.00   0.01
    18   1    -0.08   0.03   0.06    -0.09  -0.01   0.08    -0.11   0.00   0.07
    19   1     0.03   0.02  -0.04     0.07  -0.02  -0.01     0.06  -0.02  -0.02
    20   1     0.02   0.03  -0.03    -0.03   0.12  -0.10    -0.01   0.11  -0.07
    21   1     0.03  -0.04  -0.02     0.00  -0.06   0.04     0.04  -0.06   0.01
    22   1     0.04  -0.02   0.04    -0.04   0.11  -0.09     0.06  -0.09   0.07
    23   1    -0.00   0.06   0.02     0.03  -0.05   0.04    -0.01   0.06  -0.02
    24   1    -0.05  -0.08  -0.07     0.07   0.04   0.08    -0.09  -0.06  -0.07
    25   1     0.04   0.00   0.05    -0.04  -0.05  -0.01     0.03   0.06   0.01
    26   1     0.08  -0.16   0.19    -0.09   0.11  -0.25     0.10  -0.12   0.19
    27   1     0.01  -0.11   0.12     0.02   0.13  -0.16     0.01  -0.13   0.15
    28   1    -0.06  -0.01  -0.15     0.18   0.13   0.29    -0.14  -0.07  -0.19
    29   1    -0.00  -0.08  -0.09     0.05   0.14   0.17    -0.07  -0.12  -0.15
    30   1    -0.03  -0.03   0.12    -0.23  -0.00   0.30    -0.15  -0.03   0.20
    31   1    -0.04   0.05   0.08    -0.14   0.09   0.18    -0.12   0.06   0.15
    32   1    -0.03   0.16  -0.17     0.00   0.16  -0.27     0.00   0.15  -0.18
    33   1    -0.05   0.09  -0.10    -0.10   0.10  -0.17    -0.07   0.12  -0.15
    34   1    -0.09  -0.19  -0.32    -0.06  -0.06  -0.04     0.06   0.15   0.20
    35   1    -0.15  -0.07  -0.19    -0.02  -0.03  -0.02     0.11   0.08   0.15
    36   1    -0.20   0.10   0.32     0.07  -0.00  -0.01     0.13  -0.08  -0.18
    37   1    -0.17  -0.04   0.20     0.02  -0.02  -0.01     0.14  -0.00  -0.15
                     22                     23                     24
                      A                      A                      A
 Frequencies --    523.1981               558.3983               559.2010
 Red. masses --      1.5617                 1.8402                 1.8425
 Frc consts  --      0.2519                 0.3381                 0.3395
 IR Inten    --      3.2686                 3.4648                 3.3960
 RamAct Fr= 1--      0.0138                 0.1952                 0.2014
  Dep-P Fr= 1--      0.0027                 0.7443                 0.7449
  Dep-U Fr= 1--      0.0053                 0.8534                 0.8538
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0000                 0.0278                 0.0287
 AlphaG Fr= 1--     -0.0001                -0.0000                -0.0000
 Gamma2 Fr= 1--      0.0001                -0.6615                -0.6409
 Delta2 Fr= 1--      0.0000                -0.1372                -0.1296
 Raman1 Fr= 1--       0.055                  0.781                  0.806
 ROA1   Fr= 1--       0.009                -67.891                -65.677
 CID1   Fr= 1--       0.156                -86.946                -81.527
 Raman2 Fr= 1--       0.000                  0.333                  0.344
 ROA2   Fr= 1--       0.002                -14.777                -14.346
 CID2   Fr= 1--      10.455                -44.351                -41.717
 Raman3 Fr= 1--       0.000                  0.666                  0.688
 ROA3   Fr= 1--       0.009                -67.891                -65.677
 CID3   Fr= 1--      29.321               -101.884                -95.491
 RC180  Fr= 1--      -0.989                  0.707                  0.708
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.05  -0.05    -0.00  -0.01   0.02     0.02   0.06  -0.07
     2   6    -0.01  -0.05  -0.05    -0.00   0.03   0.02    -0.00  -0.06  -0.07
     3   7     0.04  -0.02   0.03    -0.03   0.00  -0.02     0.07  -0.00   0.07
     4  45     0.00   0.00  -0.00     0.00  -0.03  -0.00    -0.03  -0.00   0.00
     5   7     0.04   0.00   0.04    -0.02   0.01  -0.02     0.07  -0.03   0.08
     6   7    -0.02   0.03   0.03    -0.01   0.07   0.08     0.01  -0.02  -0.02
     7   6    -0.05  -0.02  -0.05    -0.06  -0.01  -0.07     0.02   0.00   0.01
     8   6     0.05   0.02  -0.05     0.06   0.03  -0.07    -0.01  -0.00   0.01
     9   7    -0.01   0.04   0.04    -0.03   0.06   0.08     0.01  -0.01  -0.01
    10   7    -0.03  -0.03   0.04     0.02   0.04  -0.05     0.03   0.05  -0.06
    11   6    -0.04   0.03  -0.05     0.03  -0.02   0.05     0.05  -0.03   0.05
    12   6     0.04  -0.03  -0.05    -0.03   0.04   0.05    -0.03   0.03   0.05
    13   7    -0.02  -0.04   0.03     0.04   0.03  -0.05     0.04   0.03  -0.06
    14   1     0.05  -0.13   0.07     0.05  -0.23   0.11    -0.01   0.05  -0.03
    15   1     0.19   0.00  -0.15     0.30   0.01  -0.23    -0.05   0.01   0.05
    16   1     0.04  -0.13   0.07     0.10  -0.21   0.11    -0.01   0.04  -0.02
    17   1    -0.15  -0.11  -0.15    -0.24  -0.18  -0.24     0.06   0.03   0.04
    18   1     0.09   0.11   0.07    -0.12  -0.11  -0.08    -0.13  -0.12  -0.08
    19   1    -0.10   0.16  -0.15     0.10  -0.17   0.16     0.13  -0.19   0.17
    20   1     0.10   0.10   0.07    -0.10  -0.13  -0.07    -0.10  -0.15  -0.09
    21   1     0.18  -0.08  -0.15    -0.19   0.09   0.16    -0.20   0.09   0.18
    22   1    -0.14   0.02   0.07     0.07  -0.02  -0.03    -0.22   0.07   0.11
    23   1    -0.09  -0.17  -0.14     0.04   0.09   0.07    -0.14  -0.25  -0.23
    24   1    -0.14   0.03   0.07     0.08  -0.00  -0.04    -0.23   0.02   0.11
    25   1    -0.02   0.19  -0.14     0.02  -0.09   0.08    -0.03   0.29  -0.23
    26   1     0.05  -0.04   0.22    -0.02   0.01  -0.09     0.09  -0.02   0.23
    27   1    -0.14   0.03   0.02     0.06   0.01  -0.02    -0.12  -0.05   0.07
    28   1     0.07   0.01   0.22    -0.03   0.01  -0.06     0.09  -0.01   0.23
    29   1    -0.14   0.03   0.02     0.01  -0.03  -0.02    -0.10   0.09   0.06
    30   1    -0.06  -0.03   0.22     0.04   0.05  -0.15     0.05   0.04  -0.19
    31   1     0.10   0.11   0.01    -0.01  -0.08  -0.05    -0.03  -0.11  -0.05
    32   1    -0.02  -0.07   0.23     0.03   0.05  -0.17     0.05   0.05  -0.17
    33   1     0.10   0.11   0.02    -0.10  -0.04  -0.04    -0.09  -0.02  -0.05
    34   1     0.01   0.07   0.22    -0.02   0.09   0.24     0.01  -0.02  -0.04
    35   1     0.05  -0.14   0.02     0.11  -0.09   0.07    -0.02  -0.00  -0.02
    36   1    -0.05   0.05   0.22    -0.03   0.09   0.23     0.01  -0.01  -0.06
    37   1     0.04  -0.14   0.02    -0.03  -0.13   0.07    -0.00   0.05  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    676.1695               676.4235               713.9514
 Red. masses --      1.2961                 1.2962                 1.2647
 Frc consts  --      0.3491                 0.3494                 0.3798
 IR Inten    --      0.1365                 0.1366                 0.0008
 RamAct Fr= 1--      0.0768                 0.0723                 2.4089
  Dep-P Fr= 1--      0.7489                 0.7498                 0.1539
  Dep-U Fr= 1--      0.8564                 0.8570                 0.2667
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0369
 Beta2  Fr= 1--      0.0110                 0.0103                 0.1071
 AlphaG Fr= 1--      0.0000                 0.0000                 0.3018
 Gamma2 Fr= 1--     -0.5275                -0.5194                -3.7782
 Delta2 Fr= 1--      0.1048                 0.1030                -0.1219
 Raman1 Fr= 1--       0.307                  0.289                  9.635
 ROA1   Fr= 1--     -47.287                -46.562               -366.608
 CID1   Fr= 1--    -153.970               -160.895                -38.048
 Raman2 Fr= 1--       0.132                  0.124                  1.285
 ROA2   Fr= 1--     -13.499                -13.289                -89.702
 CID2   Fr= 1--    -102.649               -107.165                -69.817
 Raman3 Fr= 1--       0.263                  0.248                  2.570
 ROA3   Fr= 1--     -47.287                -46.562               -366.608
 CID3   Fr= 1--    -179.787               -187.745               -142.669
 RC180  Fr= 1--       0.713                  0.714                 -0.467
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.02    -0.00  -0.01  -0.00     0.00  -0.01  -0.01
     2   6    -0.00  -0.01  -0.01    -0.00  -0.01   0.02    -0.00  -0.00   0.01
     3   7    -0.03  -0.01   0.05    -0.03   0.01   0.05    -0.04   0.00   0.05
     4  45     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   7     0.00   0.01   0.00     0.04  -0.02  -0.07     0.03  -0.01  -0.04
     6   7     0.00   0.04  -0.06     0.01  -0.02   0.03    -0.00   0.03  -0.04
     7   6     0.01   0.01   0.01    -0.01  -0.00   0.02     0.00   0.01  -0.01
     8   6     0.00   0.00   0.02    -0.01  -0.00   0.00     0.00  -0.00   0.01
     9   7    -0.00  -0.01   0.02    -0.03   0.04  -0.07     0.02  -0.03   0.04
    10   7    -0.02  -0.04  -0.07    -0.00   0.02   0.02     0.02   0.03   0.04
    11   6     0.01  -0.01  -0.01    -0.00   0.01  -0.02     0.00   0.01   0.01
    12   6     0.01  -0.01   0.01     0.01  -0.00  -0.02    -0.01   0.00  -0.01
    13   7     0.03   0.03   0.06     0.03   0.01   0.04    -0.03  -0.02  -0.05
    14   1    -0.01   0.03  -0.04    -0.01  -0.07   0.05     0.00   0.06  -0.04
    15   1    -0.06   0.00   0.05     0.08   0.02  -0.00    -0.08  -0.02   0.03
    16   1     0.05  -0.03   0.04    -0.02   0.04  -0.05     0.04  -0.05   0.04
    17   1    -0.06  -0.02   0.01     0.06   0.04   0.05    -0.08  -0.03  -0.03
    18   1     0.07   0.03   0.06    -0.01   0.01   0.01    -0.06  -0.03  -0.04
    19   1    -0.06   0.07  -0.03     0.00   0.02  -0.04     0.06  -0.07   0.03
    20   1    -0.02  -0.06  -0.06     0.01  -0.03  -0.01     0.02   0.06   0.04
    21   1    -0.08   0.05   0.03    -0.01   0.02  -0.03     0.07  -0.05  -0.02
    22   1     0.02  -0.03  -0.03     0.05  -0.03  -0.05     0.05  -0.04  -0.04
    23   1     0.00   0.04  -0.02     0.03   0.08   0.04     0.02   0.09   0.03
    24   1    -0.02   0.01   0.02    -0.07  -0.02   0.06    -0.06  -0.01   0.04
    25   1    -0.01   0.03  -0.05     0.01   0.09  -0.02     0.01   0.09  -0.03
    26   1     0.00   0.02  -0.02     0.07  -0.12   0.34     0.06  -0.06   0.25
    27   1     0.00  -0.04   0.01    -0.29   0.25  -0.13    -0.23   0.15  -0.09
    28   1    -0.08  -0.07  -0.25    -0.08  -0.05  -0.24    -0.08  -0.03  -0.25
    29   1     0.26   0.11   0.10     0.25   0.07   0.09     0.27   0.05   0.09
    30   1     0.11   0.01  -0.29     0.08  -0.01  -0.19    -0.08  -0.02   0.25
    31   1    -0.29  -0.11   0.11    -0.22  -0.05   0.08     0.24   0.12  -0.09
    32   1     0.01  -0.13   0.33    -0.01   0.04  -0.09     0.01   0.08  -0.25
    33   1     0.08   0.36  -0.13     0.01  -0.11   0.04    -0.09  -0.25   0.09
    34   1     0.06   0.11   0.31    -0.02  -0.05  -0.16     0.02   0.08   0.24
    35   1    -0.08  -0.34  -0.12     0.01   0.17   0.06    -0.02  -0.26  -0.09
    36   1     0.02  -0.02  -0.09    -0.12   0.05   0.34     0.07  -0.05  -0.24
    37   1    -0.05   0.08   0.03     0.29  -0.24  -0.13    -0.18   0.20   0.09
                     28                     29                     30
                      A                      A                      A
 Frequencies --    750.4186               750.5760               762.8613
 Red. masses --      1.3993                 1.4003                 1.4761
 Frc consts  --      0.4643                 0.4648                 0.5061
 IR Inten    --      5.4075                 5.3568                17.8416
 RamAct Fr= 1--      0.5158                 0.5272                 0.0006
  Dep-P Fr= 1--      0.7493                 0.7488                 0.5809
  Dep-U Fr= 1--      0.8567                 0.8564                 0.7349
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0737                 0.0753                 0.0001
 AlphaG Fr= 1--      0.0000                 0.0001                 0.0000
 Gamma2 Fr= 1--      2.9462                 2.9753                 0.0028
 Delta2 Fr= 1--     -0.0248                -0.0303                -0.0002
 Raman1 Fr= 1--       2.063                  2.109                  0.003
 ROA1   Fr= 1--     282.041                284.661                  0.261
 CID1   Fr= 1--     136.693                134.977                101.772
 Raman2 Fr= 1--       0.884                  0.903                  0.001
 ROA2   Fr= 1--      70.906                 71.650                  0.069
 CID2   Fr= 1--      80.226                 79.344                 72.973
 Raman3 Fr= 1--       1.768                  1.806                  0.002
 ROA3   Fr= 1--     282.041                284.661                  0.261
 CID3   Fr= 1--     159.556                157.614                138.492
 RC180  Fr= 1--       0.713                  0.713                  0.470
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.02     0.01  -0.00  -0.02    -0.03  -0.01   0.02
     2   6     0.01  -0.01  -0.03    -0.00  -0.02  -0.01    -0.02   0.02   0.02
     3   7    -0.02  -0.01   0.04    -0.05  -0.01   0.05     0.03  -0.01  -0.06
     4  45     0.01  -0.01   0.00     0.01   0.01  -0.00    -0.00   0.00   0.02
     5   7    -0.04   0.04   0.07     0.00   0.01   0.01     0.03  -0.00  -0.06
     6   7     0.01   0.03  -0.04    -0.00  -0.05   0.06    -0.02   0.03  -0.06
     7   6     0.01  -0.00   0.03    -0.02  -0.01  -0.01     0.02  -0.02   0.02
     8   6    -0.02  -0.01   0.02    -0.00   0.01  -0.02    -0.01  -0.03   0.02
     9   7    -0.04   0.04  -0.07     0.01   0.01   0.01    -0.00   0.03  -0.05
    10   7     0.01   0.03   0.02    -0.01  -0.05  -0.06    -0.02  -0.02  -0.06
    11   6    -0.01   0.01   0.01     0.02  -0.01   0.03     0.03   0.01   0.02
    12   6    -0.01   0.01  -0.00    -0.01   0.02   0.03     0.00   0.03   0.02
    13   7    -0.02  -0.02  -0.03    -0.05  -0.01  -0.06    -0.02  -0.03  -0.06
    14   1    -0.04  -0.03  -0.01     0.01  -0.04   0.05    -0.02   0.05  -0.08
    15   1     0.01   0.04   0.10     0.06  -0.01  -0.08    -0.07   0.02   0.14
    16   1     0.01   0.03  -0.05    -0.06   0.02  -0.02    -0.02   0.05  -0.08
    17   1     0.02   0.05   0.12     0.05   0.00  -0.04     0.04   0.06   0.14
    18   1    -0.05  -0.02  -0.04     0.03  -0.03  -0.03    -0.03  -0.04  -0.07
    19   1     0.04  -0.05   0.02    -0.02  -0.03   0.12     0.01  -0.07   0.15
    20   1     0.01   0.05   0.04    -0.03   0.02  -0.03    -0.04  -0.04  -0.08
    21   1     0.05  -0.03  -0.02    -0.03  -0.02   0.12    -0.07   0.01   0.15
    22   1    -0.03  -0.02   0.05     0.03  -0.05  -0.02     0.06  -0.01  -0.08
    23   1    -0.04  -0.03  -0.11    -0.00   0.05  -0.05     0.06   0.05   0.15
    24   1     0.03   0.04   0.01    -0.04   0.00   0.05     0.05  -0.01  -0.08
    25   1    -0.03  -0.02  -0.09    -0.02   0.06  -0.08     0.03  -0.06   0.15
    26   1    -0.08   0.11  -0.32     0.01   0.03  -0.02     0.04  -0.11   0.22
    27   1     0.27  -0.26   0.14     0.02  -0.05   0.02    -0.18   0.18  -0.10
    28   1    -0.06  -0.06  -0.16    -0.10  -0.05  -0.27     0.08   0.09   0.21
    29   1     0.20   0.10   0.08     0.30   0.11   0.11    -0.22  -0.10  -0.10
    30   1    -0.05  -0.03   0.16    -0.12   0.00   0.28    -0.11   0.02   0.21
    31   1     0.15   0.06  -0.06     0.34   0.08  -0.13     0.23   0.06  -0.10
    32   1     0.02   0.05  -0.15     0.02  -0.13   0.29     0.03  -0.11   0.22
    33   1    -0.04  -0.15   0.05     0.04   0.36  -0.13     0.03   0.25  -0.10
    34   1     0.06   0.07   0.18    -0.03  -0.10  -0.28     0.07   0.08   0.21
    35   1    -0.08  -0.22  -0.09     0.07   0.31   0.12    -0.06  -0.22  -0.10
    36   1    -0.12   0.06   0.33     0.03   0.01  -0.01    -0.11   0.02   0.20
    37   1     0.31  -0.24  -0.14    -0.04   0.00   0.02     0.18  -0.14  -0.10
                     31                     32                     33
                      A                      A                      A
 Frequencies --    865.5689               865.6170               867.4004
 Red. masses --      3.2256                 3.2250                 3.1378
 Frc consts  --      1.4239                 1.4237                 1.3910
 IR Inten    --     10.9253                10.9127                 0.0045
 RamAct Fr= 1--      1.0272                 1.0652                11.5424
  Dep-P Fr= 1--      0.7487                 0.7490                 0.0447
  Dep-U Fr= 1--      0.8563                 0.8565                 0.0856
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.2309
 Beta2  Fr= 1--      0.1466                 0.1521                 0.1646
 AlphaG Fr= 1--      0.0000                -0.0000                -0.1123
 Gamma2 Fr= 1--      0.4214                 0.4099                -0.9518
 Delta2 Fr= 1--      0.6325                 0.6319                -2.6266
 Raman1 Fr= 1--       4.109                  4.261                 46.169
 ROA1   Fr= 1--      60.700                 59.573               -175.420
 CID1   Fr= 1--      14.774                 13.981                 -3.799
 Raman2 Fr= 1--       1.759                  1.825                  1.975
 ROA2   Fr= 1--       5.054                  4.783                 -1.830
 CID2   Fr= 1--       2.873                  2.621                 -0.926
 Raman3 Fr= 1--       3.518                  3.649                  3.951
 ROA3   Fr= 1--      60.700                 59.573               -175.420
 CID3   Fr= 1--      17.253                 16.324                -44.402
 RC180  Fr= 1--       0.713                  0.713                 -0.829
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.06   0.05     0.04   0.13  -0.12    -0.03  -0.11   0.09
     2   6    -0.02  -0.06  -0.06     0.00   0.15   0.11    -0.01  -0.11  -0.09
     3   7    -0.01   0.04  -0.01     0.04  -0.12   0.06    -0.03   0.09  -0.03
     4  45     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7     0.05   0.06   0.04    -0.07  -0.09  -0.05     0.06   0.07   0.03
     6   7    -0.06   0.01   0.02    -0.12   0.02   0.06    -0.10   0.02   0.04
     7   6     0.08   0.02   0.08     0.13   0.01   0.10     0.11   0.02   0.09
     8   6     0.08   0.05  -0.06     0.12   0.05  -0.11     0.10   0.05  -0.09
     9   7    -0.06  -0.06  -0.04    -0.07  -0.07  -0.04    -0.07  -0.07  -0.03
    10   7    -0.13   0.03   0.06     0.03  -0.00  -0.01     0.09  -0.02  -0.03
    11   6     0.13  -0.09   0.13    -0.02  -0.00   0.00    -0.09   0.06  -0.09
    12   6     0.10  -0.13  -0.13    -0.01  -0.01   0.02    -0.07   0.08   0.08
    13   7    -0.05   0.13  -0.06     0.00   0.01  -0.01     0.04  -0.09   0.04
    14   1     0.03   0.03  -0.18     0.04   0.07  -0.36     0.04   0.07  -0.30
    15   1    -0.00   0.03  -0.05    -0.05   0.04  -0.03    -0.05   0.03  -0.03
    16   1     0.05  -0.02   0.25     0.06  -0.01   0.29     0.07  -0.03   0.28
    17   1    -0.01  -0.05   0.01     0.02  -0.04   0.07    -0.01  -0.05   0.04
    18   1     0.09  -0.01   0.41     0.01   0.01   0.02    -0.08   0.00  -0.29
    19   1     0.03   0.07   0.05    -0.02   0.02  -0.03    -0.00  -0.06  -0.03
    20   1     0.03  -0.08  -0.38     0.01   0.02   0.07    -0.01   0.07   0.27
    21   1    -0.05  -0.04  -0.07     0.03  -0.01  -0.02     0.05   0.02   0.04
    22   1     0.03  -0.04  -0.21    -0.02   0.07   0.33     0.04  -0.07  -0.28
    23   1     0.04   0.02   0.00    -0.06   0.01   0.06     0.05   0.02  -0.04
    24   1    -0.01  -0.03   0.12     0.06   0.06  -0.37    -0.06  -0.05   0.29
    25   1    -0.03  -0.01   0.05     0.05  -0.04  -0.04    -0.04   0.04   0.03
    26   1     0.04   0.04  -0.01    -0.06  -0.09   0.02     0.06   0.08   0.01
    27   1     0.10   0.08   0.04    -0.16  -0.19  -0.04     0.11   0.15   0.03
    28   1    -0.00   0.05   0.00     0.03  -0.11  -0.02    -0.02   0.09  -0.01
    29   1    -0.02   0.11  -0.01     0.10  -0.24   0.06    -0.05   0.18  -0.03
    30   1    -0.05   0.11   0.02     0.01  -0.00   0.00     0.04  -0.09   0.01
    31   1    -0.08   0.27  -0.06     0.02  -0.00  -0.01     0.07  -0.17   0.03
    32   1    -0.11   0.04  -0.02     0.01   0.00   0.01     0.09  -0.03  -0.01
    33   1    -0.28   0.05   0.05     0.03   0.02  -0.02     0.17  -0.05  -0.03
    34   1    -0.06   0.00  -0.01    -0.10   0.01  -0.02    -0.10   0.01   0.01
    35   1    -0.15   0.02   0.02    -0.23   0.07   0.06    -0.19   0.03   0.03
    36   1    -0.05  -0.05   0.02    -0.08  -0.06   0.02    -0.07  -0.07  -0.01
    37   1    -0.09  -0.14  -0.04    -0.15  -0.16  -0.04    -0.14  -0.13  -0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --    870.7715               872.6946               872.8134
 Red. masses --      2.6872                 2.4828                 2.4837
 Frc consts  --      1.2005                 1.1141                 1.1148
 IR Inten    --      5.7806                 0.1139                 0.1372
 RamAct Fr= 1--      0.0186                 2.4625                 2.5090
  Dep-P Fr= 1--      0.4574                 0.7495                 0.7479
  Dep-U Fr= 1--      0.6277                 0.8568                 0.8558
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0019                 0.3517                 0.3579
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0001
 Gamma2 Fr= 1--     -0.0033                -1.0457                -0.9927
 Delta2 Fr= 1--     -0.0020                -0.4220                -0.4004
 Raman1 Fr= 1--       0.074                  9.850                 10.036
 ROA1   Fr= 1--      -0.381               -113.887               -108.110
 CID1   Fr= 1--      -5.124                -11.562                -10.772
 Raman2 Fr= 1--       0.023                  4.220                  4.294
 ROA2   Fr= 1--      -0.063                -21.720                -20.622
 CID2   Fr= 1--      -2.698                 -5.147                 -4.802
 Raman3 Fr= 1--       0.047                  8.440                  8.589
 ROA3   Fr= 1--      -0.381               -113.887               -108.110
 CID3   Fr= 1--      -8.164                -13.494                -12.587
 RC180  Fr= 1--       0.255                  0.714                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01   0.05    -0.03  -0.01  -0.00     0.12  -0.02   0.07
     2   6     0.07  -0.02   0.05    -0.03  -0.01  -0.03     0.11  -0.03   0.06
     3   7    -0.03   0.08  -0.06     0.01  -0.02   0.01    -0.07   0.13  -0.06
     4  45    -0.00   0.00   0.01    -0.00  -0.01   0.00     0.01  -0.00   0.00
     5   7    -0.06  -0.06  -0.06     0.04   0.03   0.01    -0.11  -0.08  -0.06
     6   7     0.10  -0.03  -0.07    -0.08   0.03   0.04    -0.09   0.04   0.03
     7   6    -0.03   0.08   0.06     0.02  -0.08  -0.05     0.04  -0.07  -0.04
     8   6    -0.02   0.09   0.06     0.01  -0.08  -0.03     0.03  -0.07  -0.05
     9   7    -0.07  -0.08  -0.07     0.05   0.09   0.04     0.04   0.07   0.04
    10   7     0.10  -0.02  -0.06     0.14  -0.00  -0.06    -0.04  -0.00   0.01
    11   6    -0.06  -0.06   0.05    -0.08  -0.08   0.06     0.03   0.00   0.00
    12   6    -0.05  -0.06   0.06    -0.07  -0.09   0.06     0.03   0.01  -0.02
    13   7    -0.03   0.09  -0.06    -0.02   0.14  -0.05     0.00  -0.01   0.01
    14   1    -0.00  -0.11   0.27    -0.01   0.08  -0.22     0.00   0.10  -0.28
    15   1     0.16   0.02  -0.15    -0.12   0.00   0.18    -0.15  -0.00   0.18
    16   1     0.07  -0.08   0.29    -0.07   0.08  -0.30    -0.04   0.06  -0.22
    17   1    -0.14  -0.08  -0.15     0.12   0.09   0.18     0.09   0.07   0.18
    18   1     0.08   0.04   0.25     0.11   0.07   0.37     0.00  -0.01  -0.02
    19   1    -0.09   0.11  -0.14    -0.10   0.17  -0.25     0.00  -0.01   0.06
    20   1     0.03   0.10   0.27     0.05   0.12   0.36    -0.01  -0.05  -0.13
    21   1     0.13  -0.08  -0.14     0.17  -0.07  -0.25    -0.06   0.03   0.05
    22   1    -0.07   0.05   0.23     0.04  -0.03  -0.15    -0.11   0.06   0.36
    23   1    -0.05  -0.13  -0.12     0.03   0.07   0.06    -0.10  -0.17  -0.26
    24   1    -0.09  -0.02   0.23     0.01  -0.01  -0.04    -0.14  -0.02   0.39
    25   1     0.00   0.13  -0.12     0.01  -0.02   0.07    -0.02   0.20  -0.26
    26   1    -0.03  -0.00   0.03     0.04   0.01   0.04    -0.07   0.04  -0.08
    27   1    -0.12   0.04  -0.08     0.02   0.03   0.01    -0.07   0.00  -0.07
    28   1    -0.02   0.01   0.03     0.01   0.03   0.01    -0.09   0.00  -0.09
    29   1    -0.13   0.01  -0.08     0.02   0.02   0.02    -0.06   0.03  -0.07
    30   1     0.02   0.02   0.02     0.07   0.05  -0.09    -0.02   0.02   0.01
    31   1     0.10   0.08  -0.09     0.03   0.06  -0.06    -0.02   0.01   0.01
    32   1     0.03   0.02   0.02     0.04   0.07  -0.09    -0.04  -0.01   0.04
    33   1     0.08   0.11  -0.09     0.05   0.04  -0.07    -0.03   0.02   0.01
    34   1     0.01  -0.03   0.01     0.02   0.06   0.05    -0.02   0.06   0.08
    35   1     0.02  -0.13  -0.09    -0.01   0.04   0.05    -0.03   0.02   0.04
    36   1     0.01  -0.04   0.02    -0.02   0.07   0.07    -0.04   0.04   0.06
    37   1     0.06  -0.13  -0.09     0.02   0.05   0.04    -0.01   0.04   0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --    982.2636               983.2499               983.4669
 Red. masses --      2.1967                 2.2058                 2.2003
 Frc consts  --      1.2488                 1.2565                 1.2539
 IR Inten    --      3.4569                 3.4396                 3.7059
 RamAct Fr= 1--      0.0349                 3.9807                 4.0493
  Dep-P Fr= 1--      0.7494                 0.7499                 0.7500
  Dep-U Fr= 1--      0.8567                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0050                 0.5686                 0.5785
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      0.0085                 1.0373                 1.0825
 Delta2 Fr= 1--      0.0082                 1.0579                 1.0622
 Raman1 Fr= 1--       0.140                 15.923                 16.197
 ROA1   Fr= 1--       1.083                133.432                137.911
 CID1   Fr= 1--       7.752                  8.380                  8.515
 Raman2 Fr= 1--       0.060                  6.824                  6.942
 ROA2   Fr= 1--       0.139                 16.431                 17.482
 CID2   Fr= 1--       2.325                  2.408                  2.518
 Raman3 Fr= 1--       0.120                 13.647                 13.883
 ROA3   Fr= 1--       1.083                133.432                137.911
 CID3   Fr= 1--       9.048                  9.777                  9.934
 RC180  Fr= 1--       0.713                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.10   0.00     0.02   0.10   0.01    -0.04  -0.14   0.00
     2   6     0.02   0.11   0.00    -0.01  -0.10  -0.01     0.03   0.15  -0.00
     3   7     0.00  -0.05  -0.00    -0.00   0.05  -0.00     0.00  -0.07   0.00
     4  45    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.02   0.04  -0.00    -0.02  -0.04  -0.00     0.03   0.06   0.00
     6   7    -0.06  -0.00   0.00    -0.08  -0.01   0.00    -0.00  -0.00   0.00
     7   6     0.13   0.04   0.00     0.15   0.05  -0.00     0.01   0.01  -0.01
     8   6    -0.12  -0.05   0.00    -0.15  -0.06   0.00    -0.00  -0.01   0.01
     9   7     0.05   0.03   0.00     0.06   0.04   0.00     0.00   0.00   0.00
    10   7    -0.05   0.02  -0.00     0.04  -0.02  -0.00     0.06  -0.03  -0.00
    11   6     0.09  -0.08   0.00    -0.07   0.06   0.01    -0.11   0.09  -0.00
    12   6    -0.09   0.08   0.00     0.06  -0.06  -0.01     0.11  -0.09   0.00
    13   7     0.03  -0.04  -0.00    -0.03   0.04  -0.00    -0.04   0.06  -0.00
    14   1    -0.15  -0.24   0.09    -0.17  -0.29   0.10    -0.00   0.01  -0.01
    15   1     0.10  -0.07  -0.16     0.11  -0.09  -0.20    -0.03  -0.02   0.00
    16   1     0.27  -0.11   0.09     0.32  -0.12   0.11     0.04  -0.03   0.02
    17   1    -0.04  -0.12  -0.16    -0.04  -0.14  -0.21    -0.04  -0.02  -0.03
    18   1     0.26  -0.00   0.08    -0.21  -0.00  -0.07    -0.29   0.01  -0.08
    19   1     0.01   0.11  -0.14     0.01  -0.10   0.13    -0.04  -0.12   0.17
    20   1    -0.04   0.26   0.09     0.03  -0.17  -0.05     0.04  -0.32  -0.10
    21   1     0.11   0.02  -0.15    -0.06  -0.04   0.10    -0.15  -0.02   0.19
    22   1    -0.12   0.20   0.08     0.08  -0.17  -0.05    -0.16   0.29   0.10
    23   1    -0.09  -0.05  -0.13     0.08   0.00   0.11    -0.13  -0.07  -0.20
    24   1    -0.18  -0.14   0.07     0.19   0.14  -0.08    -0.23  -0.19   0.09
    25   1    -0.07   0.07  -0.13     0.06  -0.10   0.14    -0.10   0.08  -0.18
    26   1     0.04   0.09  -0.01    -0.04  -0.13   0.02     0.04   0.11  -0.04
    27   1     0.05   0.14  -0.01    -0.04  -0.09   0.00     0.10   0.19  -0.01
    28   1    -0.00  -0.11  -0.01     0.00   0.06   0.02    -0.01  -0.17  -0.04
    29   1    -0.01  -0.14  -0.01    -0.01   0.16   0.01     0.01  -0.18  -0.01
    30   1     0.08  -0.10  -0.01    -0.03   0.04   0.02    -0.11   0.13   0.04
    31   1     0.10  -0.12  -0.01    -0.08   0.12   0.01    -0.09   0.14   0.01
    32   1    -0.10   0.06  -0.01     0.10  -0.07   0.02     0.09  -0.06   0.04
    33   1    -0.14   0.09  -0.01     0.08  -0.04   0.00     0.19  -0.09   0.01
    34   1    -0.13  -0.02  -0.02    -0.16  -0.03  -0.04    -0.06  -0.01  -0.00
    35   1    -0.17  -0.03  -0.01    -0.21  -0.01  -0.01     0.02  -0.00   0.00
    36   1     0.11   0.06  -0.01     0.13   0.07  -0.04    -0.04  -0.02  -0.00
    37   1     0.16   0.08  -0.01     0.18   0.12  -0.01     0.04   0.03  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    996.8252               997.2795              1009.6920
 Red. masses --      1.2460                 1.2452                 1.2697
 Frc consts  --      0.7295                 0.7297                 0.7626
 IR Inten    --      9.0990                 9.4826                 0.0002
 RamAct Fr= 1--      0.0987                 0.1030                 1.2728
  Dep-P Fr= 1--      0.7479                 0.7434                 0.0839
  Dep-U Fr= 1--      0.8558                 0.8528                 0.1548
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0232
 Beta2  Fr= 1--      0.0141                 0.0146                 0.0328
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.2598
 Gamma2 Fr= 1--      0.7977                 0.8620                -1.2388
 Delta2 Fr= 1--      0.1479                 0.1540                 0.3325
 Raman1 Fr= 1--       0.395                  0.412                  5.091
 ROA1   Fr= 1--      81.309                 87.686               -108.283
 CID1   Fr= 1--     205.995                212.907                -21.270
 Raman2 Fr= 1--       0.169                  0.176                  0.394
 ROA2   Fr= 1--      17.961                 19.457                -32.390
 CID2   Fr= 1--     106.346                110.793                -82.209
 Raman3 Fr= 1--       0.338                  0.351                  0.788
 ROA3   Fr= 1--      81.309                 87.686               -108.283
 CID3   Fr= 1--     240.708                249.655               -137.414
 RC180  Fr= 1--       0.712                  0.706                 -0.690
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.03  -0.02     0.05  -0.02  -0.03     0.05  -0.02  -0.03
     2   6    -0.04   0.01   0.02    -0.06  -0.01   0.03    -0.05  -0.00   0.03
     3   7     0.01  -0.00  -0.01     0.01  -0.00   0.00     0.02  -0.00  -0.00
     4  45    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.01   0.00  -0.00    -0.01  -0.00   0.00    -0.02   0.00   0.00
     6   7    -0.01   0.02  -0.00     0.00  -0.00  -0.00     0.01  -0.01   0.00
     7   6     0.01  -0.07   0.04     0.01   0.02  -0.00    -0.00   0.05  -0.03
     8   6    -0.05   0.06  -0.03    -0.00  -0.01   0.01     0.03  -0.04   0.03
     9   7     0.00  -0.02   0.00    -0.00   0.00  -0.01    -0.00   0.02  -0.00
    10   7    -0.00  -0.00   0.00     0.01   0.01   0.00    -0.01  -0.01  -0.00
    11   6     0.00   0.03   0.01    -0.03  -0.06  -0.03     0.02   0.05   0.03
    12   6    -0.01  -0.02  -0.01     0.06   0.04   0.03    -0.04  -0.03  -0.03
    13   7     0.00   0.01   0.01    -0.01  -0.01   0.00     0.01   0.01   0.00
    14   1    -0.05  -0.20   0.15    -0.01   0.00  -0.01     0.03   0.14  -0.10
    15   1     0.27   0.11  -0.11    -0.03  -0.02   0.01    -0.18  -0.08   0.08
    16   1    -0.14   0.12  -0.14     0.06  -0.04   0.04     0.11  -0.09   0.10
    17   1     0.28   0.07   0.10    -0.06  -0.02  -0.03    -0.19  -0.05  -0.08
    18   1    -0.10  -0.02  -0.06     0.17   0.05   0.14    -0.14  -0.04  -0.10
    19   1     0.08  -0.07   0.05    -0.22   0.17  -0.10     0.16  -0.12   0.08
    20   1     0.01   0.03   0.03    -0.03  -0.19  -0.14     0.02   0.14   0.10
    21   1     0.06  -0.07  -0.03    -0.20   0.20   0.10     0.14  -0.15  -0.08
    22   1     0.07  -0.06  -0.08     0.12  -0.13  -0.12     0.10  -0.10  -0.10
    23   1     0.02   0.18   0.06     0.03   0.23   0.09     0.02   0.20   0.08
    24   1    -0.14  -0.06   0.11    -0.12  -0.04   0.10    -0.13  -0.05   0.10
    25   1     0.05   0.19  -0.08     0.06   0.21  -0.08     0.06   0.20  -0.08
    26   1     0.06   0.22  -0.02     0.05   0.23  -0.03     0.05   0.23  -0.04
    27   1    -0.08  -0.11   0.01    -0.07  -0.17   0.03    -0.06  -0.16   0.02
    28   1     0.03   0.19   0.02     0.04   0.26   0.02     0.04   0.23   0.04
    29   1    -0.01  -0.16  -0.02     0.03  -0.16  -0.01    -0.01  -0.17  -0.02
    30   1     0.07  -0.06  -0.01    -0.23   0.22   0.03     0.17  -0.16  -0.04
    31   1    -0.07   0.06   0.02     0.11  -0.18  -0.02    -0.11   0.13   0.02
    32   1     0.10  -0.08   0.01    -0.24   0.19  -0.03     0.18  -0.15   0.04
    33   1    -0.07   0.01   0.00     0.19  -0.10   0.03    -0.14   0.09  -0.02
    34   1     0.31   0.09   0.03    -0.08  -0.02  -0.00    -0.22  -0.07  -0.04
    35   1    -0.23  -0.02  -0.03     0.03  -0.02  -0.01     0.17   0.03   0.02
    36   1     0.31   0.12  -0.03    -0.03  -0.01   0.01    -0.21  -0.08   0.04
    37   1    -0.18  -0.13   0.02     0.06   0.01  -0.01     0.15   0.08  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1047.5131              1047.6047              1050.7942
 Red. masses --      3.1933                 3.1927                 3.1353
 Frc consts  --      2.0645                 2.0645                 2.0397
 IR Inten    --     68.9239                68.6282                 0.0195
 RamAct Fr= 1--      0.1690                 0.1734                 2.2525
  Dep-P Fr= 1--      0.7494                 0.7497                 0.6404
  Dep-U Fr= 1--      0.8568                 0.8570                 0.7808
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0045
 Beta2  Fr= 1--      0.0241                 0.0248                 0.2931
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0265
 Gamma2 Fr= 1--      0.8401                 0.8689                -0.1780
 Delta2 Fr= 1--      0.4523                 0.4638                 1.8358
 Raman1 Fr= 1--       0.676                  0.693                  9.010
 ROA1   Fr= 1--      95.122                 98.252                 41.655
 CID1   Fr= 1--     140.745                141.693                  4.623
 Raman2 Fr= 1--       0.290                  0.297                  3.517
 ROA2   Fr= 1--      16.544                 17.142                -18.959
 CID2   Fr= 1--      57.142                 57.695                 -5.390
 Raman3 Fr= 1--       0.579                  0.594                  7.035
 ROA3   Fr= 1--      95.122                 98.252                 41.655
 CID3   Fr= 1--     164.272                165.344                  5.921
 RC180  Fr= 1--       0.714                  0.714                  0.562
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03   0.06     0.10   0.06   0.17     0.08   0.05   0.13
     2   6    -0.03   0.03  -0.06    -0.07   0.09  -0.17    -0.05   0.07  -0.13
     3   7     0.01  -0.04   0.01     0.03  -0.11   0.01     0.03  -0.08   0.01
     4  45     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7    -0.03  -0.04  -0.00    -0.07  -0.09  -0.01    -0.06  -0.07  -0.01
     6   7    -0.12   0.02   0.01    -0.02   0.00   0.00     0.08  -0.01  -0.01
     7   6     0.11  -0.06  -0.18     0.01  -0.01  -0.03    -0.07   0.04   0.12
     8   6     0.05   0.11   0.18     0.01   0.02   0.03    -0.03  -0.08  -0.12
     9   7    -0.09  -0.09  -0.01    -0.01  -0.02  -0.00     0.06   0.06   0.01
    10   7    -0.08   0.02   0.01     0.09  -0.03  -0.01    -0.09   0.02   0.01
    11   6     0.08   0.01  -0.11    -0.09  -0.01   0.14     0.09   0.01  -0.13
    12   6     0.00  -0.07   0.11    -0.01   0.10  -0.14     0.00  -0.09   0.13
    13   7    -0.03   0.07  -0.01     0.04  -0.09   0.01    -0.03   0.08  -0.01
    14   1     0.11   0.10   0.35     0.02   0.03   0.06    -0.08  -0.08  -0.26
    15   1     0.13   0.15   0.22     0.01   0.02   0.02    -0.09  -0.10  -0.15
    16   1     0.15  -0.02  -0.35     0.01   0.00  -0.05    -0.11   0.01   0.26
    17   1     0.19  -0.04  -0.22     0.04  -0.01  -0.04    -0.14   0.03   0.15
    18   1     0.10  -0.03  -0.22    -0.10   0.03   0.27     0.11  -0.03  -0.26
    19   1     0.11  -0.02  -0.13    -0.16   0.03   0.18     0.14  -0.03  -0.15
    20   1     0.03  -0.07   0.21    -0.05   0.12  -0.28     0.05  -0.11   0.27
    21   1     0.04  -0.12   0.14    -0.04   0.14  -0.17     0.04  -0.13   0.15
    22   1    -0.01   0.04  -0.12    -0.04   0.14  -0.33    -0.03   0.11  -0.27
    23   1    -0.03   0.08  -0.09    -0.06   0.17  -0.20    -0.05   0.14  -0.15
    24   1     0.04   0.05   0.13     0.08   0.11   0.33     0.07   0.09   0.27
    25   1     0.04   0.04   0.07     0.12   0.13   0.20     0.10   0.11   0.15
    26   1    -0.03  -0.03  -0.02    -0.06  -0.03  -0.04    -0.05  -0.02  -0.02
    27   1     0.01   0.07  -0.02    -0.00   0.15  -0.05    -0.01   0.09  -0.03
    28   1     0.02  -0.00   0.02     0.04  -0.06   0.04     0.03  -0.04   0.02
    29   1     0.03   0.04   0.02     0.06   0.15   0.05     0.04   0.07   0.03
    30   1     0.01   0.03  -0.03     0.01  -0.07   0.04     0.00   0.05  -0.02
    31   1     0.08  -0.04  -0.03    -0.12   0.07   0.04     0.08  -0.03  -0.03
    32   1    -0.06  -0.00   0.03     0.05   0.02  -0.04    -0.05  -0.01   0.02
    33   1     0.07  -0.08   0.03    -0.07   0.10  -0.04     0.04  -0.07   0.03
    34   1    -0.06   0.04   0.05     0.01   0.01   0.01     0.04  -0.03  -0.02
    35   1     0.14   0.08   0.05     0.01   0.01   0.01    -0.06  -0.05  -0.03
    36   1    -0.02  -0.07  -0.05    -0.02  -0.02  -0.01     0.01   0.05   0.02
    37   1     0.16   0.02  -0.05     0.03   0.01  -0.01    -0.08  -0.00   0.03
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1108.4617              1117.7034              1118.3114
 Red. masses --      1.0212                 1.0268                 1.0266
 Frc consts  --      0.7393                 0.7557                 0.7565
 IR Inten    --      0.9199                 0.0040                 0.0027
 RamAct Fr= 1--      0.0018                 0.6803                 0.6754
  Dep-P Fr= 1--      0.2467                 0.7494                 0.7500
  Dep-U Fr= 1--      0.3957                 0.8567                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0001                 0.0971                 0.0965
 AlphaG Fr= 1--     -0.0001                -0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0007                -0.7815                -0.7872
 Delta2 Fr= 1--      0.0000                -0.3656                -0.3559
 Raman1 Fr= 1--       0.007                  2.721                  2.702
 ROA1   Fr= 1--      -0.062                -86.728                -86.961
 CID1   Fr= 1--      -8.771                -31.871                -32.188
 Raman2 Fr= 1--       0.001                  1.166                  1.158
 ROA2   Fr= 1--      -0.016                -15.832                -16.045
 CID2   Fr= 1--     -11.354                -13.582                -13.858
 Raman3 Fr= 1--       0.003                  2.331                  2.316
 ROA3   Fr= 1--      -0.062                -86.728                -86.961
 CID3   Fr= 1--     -22.162                -37.201                -37.553
 RC180  Fr= 1--      -0.209                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.01
     2   6     0.00  -0.00   0.00    -0.00  -0.01  -0.01     0.00   0.00  -0.00
     3   7    -0.00  -0.01   0.00     0.00  -0.01   0.01    -0.00   0.00  -0.01
     4  45     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   7     0.00   0.01   0.00     0.01   0.01   0.01    -0.00  -0.01  -0.01
     6   7    -0.01  -0.00   0.00     0.01  -0.00  -0.01     0.00  -0.00  -0.01
     7   6    -0.00   0.00  -0.00     0.01   0.00   0.01     0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.01
     9   7     0.01   0.00   0.00    -0.01  -0.01  -0.01    -0.01  -0.01  -0.01
    10   7    -0.01   0.01   0.00     0.00  -0.00   0.00    -0.01   0.00   0.01
    11   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01   0.01  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.01
    13   7     0.01  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.01   0.01
    14   1     0.05   0.09   0.09    -0.07  -0.10  -0.09    -0.03  -0.04  -0.05
    15   1    -0.11  -0.13  -0.18     0.14   0.15   0.20     0.07   0.08   0.11
    16   1    -0.10   0.04   0.09     0.11  -0.03  -0.09     0.07  -0.03  -0.05
    17   1     0.16  -0.04  -0.18    -0.20   0.04   0.20    -0.11   0.02   0.10
    18   1    -0.10   0.00   0.09    -0.02  -0.00   0.00    -0.14   0.01   0.11
    19   1     0.15  -0.03  -0.17     0.01  -0.00  -0.00     0.23  -0.05  -0.24
    20   1     0.02  -0.10   0.09     0.00   0.01   0.00     0.03  -0.14   0.11
    21   1    -0.04   0.15  -0.17    -0.00   0.01  -0.02    -0.08   0.22  -0.24
    22   1     0.05  -0.09   0.09     0.05  -0.10   0.09    -0.04   0.07  -0.05
    23   1    -0.06   0.15  -0.17    -0.06   0.19  -0.20     0.04  -0.11   0.11
    24   1     0.08   0.06   0.09     0.10   0.08   0.09    -0.04  -0.04  -0.05
    25   1    -0.11  -0.11  -0.17    -0.13  -0.16  -0.20     0.08   0.09   0.12
    26   1    -0.08  -0.26   0.01    -0.10  -0.32  -0.00     0.05   0.18   0.00
    27   1     0.09   0.09   0.00     0.11   0.17  -0.00    -0.08  -0.09  -0.00
    28   1     0.02   0.27   0.01     0.03   0.32  -0.00    -0.02  -0.20  -0.00
    29   1     0.05  -0.12   0.00     0.05  -0.19  -0.00    -0.01   0.12   0.01
    30   1    -0.18   0.20   0.01    -0.01   0.01  -0.00    -0.26   0.28  -0.00
    31   1     0.03  -0.12   0.00    -0.01  -0.01   0.00     0.10  -0.21  -0.00
    32   1     0.22  -0.15   0.01     0.02  -0.01   0.00     0.31  -0.22  -0.00
    33   1    -0.13   0.01   0.00    -0.01   0.02  -0.00    -0.22   0.07  -0.00
    34   1     0.28   0.06   0.01    -0.31  -0.07   0.00    -0.17  -0.04  -0.00
    35   1    -0.13   0.04   0.00     0.19  -0.02   0.00     0.11   0.01   0.01
    36   1    -0.26  -0.12   0.01     0.30   0.13   0.00     0.15   0.07   0.01
    37   1     0.08   0.11  -0.00    -0.16  -0.13   0.01    -0.07  -0.08  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1171.7747              1172.1504              1193.0513
 Red. masses --      1.0716                 1.0712                 1.0616
 Frc consts  --      0.8669                 0.8671                 0.8903
 IR Inten    --     69.5740                69.4777                 0.0021
 RamAct Fr= 1--      8.8707                 8.8620                 6.6539
  Dep-P Fr= 1--      0.7500                 0.7500                 0.2315
  Dep-U Fr= 1--      0.8571                 0.8571                 0.3760
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0830
 Beta2  Fr= 1--      1.2672                 1.2660                 0.4170
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.1206
 Gamma2 Fr= 1--      1.1571                 1.2033                 0.2088
 Delta2 Fr= 1--      5.3553                 5.3760                -4.9022
 Raman1 Fr= 1--      35.483                 35.448                 26.616
 ROA1   Fr= 1--     282.450                287.551               -136.829
 CID1   Fr= 1--       7.960                  8.112                 -5.141
 Raman2 Fr= 1--      15.207                 15.192                  5.004
 ROA2   Fr= 1--     -15.072                -14.129                 44.228
 CID2   Fr= 1--      -0.991                 -0.930                  8.838
 Raman3 Fr= 1--      30.414                 30.384                 10.008
 ROA3   Fr= 1--     282.450                287.551               -136.829
 CID3   Fr= 1--       9.287                  9.464                -13.672
 RC180  Fr= 1--       0.714                  0.714                 -0.248
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.01
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
     3   7    -0.00  -0.01  -0.00    -0.00  -0.04  -0.02     0.00  -0.02  -0.01
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   7    -0.00  -0.01   0.01    -0.01  -0.03   0.02    -0.01  -0.02   0.01
     6   7    -0.03  -0.01  -0.02    -0.00  -0.00  -0.00     0.02  -0.00   0.01
     7   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.01
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.01
     9   7    -0.03  -0.01   0.02    -0.01  -0.00   0.00     0.02   0.02  -0.01
    10   7    -0.02   0.01  -0.01     0.02  -0.01   0.01    -0.02   0.01  -0.01
    11   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    12   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    13   7    -0.01   0.02   0.01     0.02  -0.02  -0.01    -0.01   0.02   0.01
    14   1    -0.13  -0.18  -0.24    -0.03  -0.04  -0.05     0.10   0.15   0.17
    15   1     0.02   0.02   0.02    -0.00   0.00   0.00    -0.02  -0.01  -0.02
    16   1    -0.22   0.07   0.24    -0.04   0.01   0.05     0.17  -0.06  -0.17
    17   1     0.02   0.00  -0.01     0.01   0.00  -0.00    -0.02   0.00   0.02
    18   1    -0.16   0.01   0.17     0.17  -0.02  -0.18    -0.18   0.01   0.17
    19   1     0.01  -0.00  -0.01    -0.02   0.01   0.01     0.02  -0.01  -0.02
    20   1    -0.04   0.15  -0.16     0.04  -0.17   0.18    -0.04   0.18  -0.17
    21   1     0.01  -0.02   0.01    -0.01   0.01  -0.01     0.01  -0.02   0.02
    22   1     0.03  -0.07   0.07     0.09  -0.20   0.24     0.08  -0.16   0.17
    23   1     0.00   0.01  -0.00    -0.00   0.02  -0.01    -0.00   0.02  -0.02
    24   1    -0.06  -0.05  -0.08    -0.16  -0.15  -0.23    -0.13  -0.12  -0.17
    25   1     0.00   0.00   0.00     0.01   0.02   0.01     0.01   0.02   0.02
    26   1     0.02   0.08  -0.03     0.04   0.20  -0.10     0.03   0.15  -0.06
    27   1     0.03   0.15  -0.02     0.08   0.35  -0.04     0.07   0.26  -0.03
    28   1     0.01   0.06   0.03     0.04   0.21   0.11     0.03   0.15   0.06
    29   1     0.01   0.10   0.01     0.07   0.38   0.04     0.03   0.27   0.03
    30   1     0.10  -0.09  -0.07    -0.13   0.11   0.08     0.11  -0.10  -0.06
    31   1     0.17  -0.17  -0.03    -0.23   0.21   0.04     0.19  -0.19  -0.03
    32   1     0.12  -0.10   0.08    -0.12   0.10  -0.08     0.11  -0.10   0.06
    33   1     0.22  -0.18   0.03    -0.21   0.17  -0.03     0.22  -0.17   0.03
    34   1     0.20   0.07   0.11     0.03   0.01   0.02    -0.14  -0.05  -0.06
    35   1     0.37   0.12   0.04     0.05   0.01   0.00    -0.27  -0.07  -0.03
    36   1     0.20   0.07  -0.11     0.05   0.02  -0.02    -0.14  -0.05   0.06
    37   1     0.35   0.13  -0.04     0.10   0.03  -0.01    -0.25  -0.11   0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1225.7487              1226.1536              1247.0729
 Red. masses --      1.2483                 1.2468                 1.2371
 Frc consts  --      1.1050                 1.1045                 1.1336
 IR Inten    --      0.0051                 0.0031                38.5500
 RamAct Fr= 1--      6.2030                 6.2576                 0.0007
  Dep-P Fr= 1--      0.7499                 0.7500                 0.6173
  Dep-U Fr= 1--      0.8571                 0.8571                 0.7633
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.8861                 0.8939                 0.0001
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -5.0803                -5.0696                -0.0002
 Delta2 Fr= 1--     -0.5511                -0.5173                -0.0001
 Raman1 Fr= 1--      24.812                 25.030                  0.003
 ROA1   Fr= 1--    -505.349               -503.237                 -0.024
 CID1   Fr= 1--     -20.367                -20.105                 -8.163
 Raman2 Fr= 1--      10.633                 10.727                  0.001
 ROA2   Fr= 1--    -117.519               -117.533                 -0.005
 CID2   Fr= 1--     -11.053                -10.957                 -4.444
 Raman3 Fr= 1--      21.265                 21.454                  0.002
 ROA3   Fr= 1--    -505.349               -503.237                 -0.024
 CID3   Fr= 1--     -23.764                -23.456                -10.693
 RC180  Fr= 1--       0.714                  0.714                  0.527
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.00  -0.03   0.02    -0.00  -0.03   0.01
     2   6    -0.01  -0.02  -0.01     0.00   0.04   0.02     0.01   0.03   0.01
     3   7     0.01   0.03   0.02    -0.00  -0.05  -0.03    -0.01  -0.04  -0.02
     4  45     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   7    -0.01  -0.03   0.02     0.01   0.05  -0.03     0.01   0.04  -0.02
     6   7    -0.05  -0.01  -0.04    -0.00   0.00   0.00    -0.04  -0.01  -0.02
     7   6     0.04   0.01   0.02     0.00  -0.01   0.00     0.03   0.01   0.01
     8   6    -0.04  -0.01   0.02    -0.00   0.01   0.00    -0.03  -0.01   0.01
     9   7     0.05   0.02  -0.04     0.00  -0.00  -0.00     0.04   0.01  -0.02
    10   7     0.02  -0.01   0.02     0.04  -0.03   0.03    -0.03   0.03  -0.02
    11   6    -0.02   0.01  -0.01    -0.02   0.03  -0.02     0.02  -0.02   0.01
    12   6     0.02  -0.01  -0.01     0.03  -0.03  -0.02    -0.02   0.02   0.01
    13   7    -0.02   0.02   0.02    -0.03   0.04   0.03     0.03  -0.03  -0.02
    14   1     0.02   0.04   0.16    -0.02  -0.03  -0.02     0.00   0.02   0.09
    15   1     0.00  -0.02  -0.01     0.01   0.01  -0.00     0.03   0.01   0.02
    16   1    -0.04   0.02   0.16    -0.03   0.01   0.02    -0.01   0.01   0.09
    17   1     0.01  -0.02  -0.01     0.01  -0.00   0.00    -0.03  -0.01   0.02
    18   1     0.05   0.00  -0.09     0.02   0.00  -0.13    -0.02  -0.01   0.09
    19   1    -0.02  -0.00   0.00    -0.01  -0.01   0.01    -0.03   0.02   0.02
    20   1     0.00  -0.01  -0.07    -0.01   0.06  -0.15    -0.00  -0.02   0.09
    21   1    -0.01  -0.00   0.01    -0.01  -0.02   0.01     0.02  -0.02   0.02
    22   1     0.00  -0.01  -0.07     0.03  -0.05   0.15     0.01  -0.01   0.09
    23   1     0.01   0.00   0.01    -0.02   0.01  -0.00    -0.00  -0.03   0.02
    24   1    -0.04  -0.03  -0.10     0.02   0.01   0.13     0.02   0.01   0.09
    25   1     0.01   0.01   0.00    -0.01   0.00  -0.01     0.01   0.03   0.02
    26   1     0.01   0.10  -0.07    -0.03  -0.18   0.14    -0.02  -0.12   0.07
    27   1     0.09   0.26  -0.02    -0.10  -0.38   0.03    -0.09  -0.35   0.04
    28   1    -0.03  -0.11  -0.08     0.04   0.17   0.13     0.02   0.11   0.07
    29   1    -0.04  -0.22  -0.02     0.04   0.42   0.03     0.05   0.36   0.04
    30   1     0.09  -0.07  -0.08     0.14  -0.11  -0.13    -0.09   0.08   0.07
    31   1     0.15  -0.14  -0.02     0.29  -0.32  -0.03    -0.26   0.25   0.04
    32   1    -0.07   0.07  -0.07    -0.13   0.13  -0.14     0.09  -0.08   0.07
    33   1    -0.22   0.14  -0.02    -0.32   0.24  -0.03     0.28  -0.22   0.04
    34   1     0.19   0.08   0.15    -0.01  -0.00  -0.01     0.12   0.04   0.08
    35   1     0.46   0.11   0.04     0.04  -0.01   0.00     0.35   0.10   0.04
    36   1    -0.20  -0.06   0.15    -0.01  -0.01   0.01    -0.11  -0.04   0.08
    37   1    -0.43  -0.19   0.04     0.01   0.02  -0.00    -0.34  -0.14   0.04
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1291.1171              1291.1475              1296.0330
 Red. masses --      1.4120                 1.4127                 1.3762
 Frc consts  --      1.3868                 1.3875                 1.3620
 IR Inten    --      0.5905                 0.6152                 0.0035
 RamAct Fr= 1--      1.6284                 1.6546                 5.0671
  Dep-P Fr= 1--      0.7413                 0.7434                 0.0200
  Dep-U Fr= 1--      0.8515                 0.8528                 0.0391
 Alpha2 Fr= 1--      0.0002                 0.0002                 0.1075
 Beta2  Fr= 1--      0.2311                 0.2352                 0.0331
 AlphaG Fr= 1--      0.0001                 0.0001                 0.0416
 Gamma2 Fr= 1--      1.1363                 1.1834                 1.0847
 Delta2 Fr= 1--      0.1837                 0.1988                 0.8394
 Raman1 Fr= 1--       6.513                  6.618                 20.268
 ROA1   Fr= 1--     114.965                119.970                130.996
 CID1   Fr= 1--      17.650                 18.127                  6.463
 Raman2 Fr= 1--       2.773                  2.822                  0.397
 ROA2   Fr= 1--      25.801                 26.812                 19.319
 CID2   Fr= 1--       9.305                  9.501                 48.698
 Raman3 Fr= 1--       5.546                  5.644                  0.793
 ROA3   Fr= 1--     114.965                119.970                130.996
 CID3   Fr= 1--      20.730                 21.255                165.106
 RC180  Fr= 1--       0.703                  0.706                 -0.922
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.02  -0.03    -0.07   0.02   0.03    -0.06   0.02   0.03
     2   6    -0.06   0.01   0.03     0.07  -0.01  -0.03     0.06  -0.01  -0.03
     3   7     0.02   0.01  -0.02    -0.02  -0.01   0.01    -0.02  -0.01   0.01
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7    -0.01   0.02   0.01     0.02  -0.02  -0.02     0.02  -0.01  -0.02
     6   7     0.00  -0.01   0.01    -0.01  -0.03   0.02     0.00   0.02  -0.01
     7   6    -0.01   0.03  -0.02    -0.02   0.09  -0.04     0.02  -0.06   0.03
     8   6     0.02  -0.03   0.01     0.03  -0.08   0.04    -0.02   0.05  -0.03
     9   7    -0.01   0.01  -0.00    -0.03   0.02  -0.02     0.01  -0.01   0.01
    10   7     0.00   0.03   0.02     0.00   0.00   0.01     0.00   0.02   0.02
    11   6    -0.05  -0.07  -0.04    -0.01  -0.01  -0.01    -0.04  -0.05  -0.03
    12   6     0.06   0.06   0.04     0.01   0.01   0.00     0.05   0.05   0.03
    13   7    -0.03  -0.01  -0.02    -0.01   0.00   0.00    -0.02  -0.01  -0.02
    14   1     0.01   0.03  -0.05     0.04   0.08  -0.07    -0.01  -0.02   0.06
    15   1    -0.01   0.02   0.12    -0.06   0.02   0.29     0.03  -0.03  -0.22
    16   1     0.03  -0.01   0.01     0.09  -0.04   0.08    -0.03   0.01  -0.06
    17   1    -0.03  -0.02  -0.11    -0.02  -0.05  -0.29     0.01   0.04   0.22
    18   1     0.09   0.01   0.08     0.01  -0.00  -0.01     0.04   0.00   0.07
    19   1    -0.00   0.06  -0.29    -0.02   0.02  -0.04     0.01   0.05  -0.25
    20   1     0.01  -0.09  -0.07    -0.00  -0.02  -0.03     0.00  -0.04  -0.07
    21   1    -0.06   0.00   0.28    -0.00  -0.01   0.04    -0.05  -0.01   0.25
    22   1     0.03  -0.06  -0.04    -0.04   0.06   0.07    -0.02   0.03   0.07
    23   1     0.03   0.04   0.20    -0.04  -0.02  -0.23    -0.04  -0.02  -0.23
    24   1    -0.06  -0.04   0.07     0.06   0.04  -0.05     0.03   0.02  -0.06
    25   1    -0.03   0.03  -0.20     0.02  -0.05   0.22     0.03  -0.03   0.23
    26   1    -0.10  -0.25  -0.02     0.11   0.26   0.04     0.10   0.24   0.02
    27   1     0.10   0.11   0.01    -0.13  -0.14  -0.01    -0.11  -0.14  -0.01
    28   1     0.01  -0.25   0.03    -0.00   0.29  -0.03     0.00   0.26  -0.02
    29   1    -0.06   0.17  -0.01     0.06  -0.15   0.01     0.05  -0.17   0.01
    30   1     0.22  -0.29   0.04     0.04  -0.05  -0.00     0.17  -0.22   0.02
    31   1    -0.07   0.23  -0.01    -0.00   0.01  -0.00    -0.07   0.18  -0.01
    32   1     0.32  -0.18  -0.04     0.04  -0.02  -0.01     0.24  -0.14  -0.02
    33   1    -0.22   0.04   0.01    -0.06   0.01   0.00    -0.19   0.04   0.01
    34   1     0.14   0.01  -0.02     0.37   0.05  -0.04    -0.24  -0.03   0.02
    35   1    -0.11   0.03   0.01    -0.23   0.05   0.01     0.17  -0.02  -0.01
    36   1     0.13   0.08   0.01     0.31   0.19   0.04    -0.20  -0.12  -0.02
    37   1    -0.04  -0.05  -0.00    -0.15  -0.19  -0.01     0.12   0.12   0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1331.8475              1332.0743              1341.4251
 Red. masses --      1.1854                 1.1859                 1.1699
 Frc consts  --      1.2389                 1.2398                 1.2403
 IR Inten    --     25.1226                25.3078                 0.0075
 RamAct Fr= 1--      4.5088                 4.4059                 1.5878
  Dep-P Fr= 1--      0.7500                 0.7500                 0.2268
  Dep-U Fr= 1--      0.8571                 0.8571                 0.3697
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0201
 Beta2  Fr= 1--      0.6441                 0.6294                 0.0978
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0580
 Gamma2 Fr= 1--     -6.5311                -6.5836                 2.6271
 Delta2 Fr= 1--     -6.6415                -6.5621                 1.3548
 Raman1 Fr= 1--      18.035                 17.624                  6.351
 ROA1   Fr= 1--    -839.515               -842.013                295.560
 CID1   Fr= 1--     -46.548                -47.777                 46.535
 Raman2 Fr= 1--       7.729                  7.553                  1.174
 ROA2   Fr= 1--    -103.614               -105.510                 52.213
 CID2   Fr= 1--     -13.405                -13.969                 44.473
 Raman3 Fr= 1--      15.459                 15.106                  2.348
 ROA3   Fr= 1--    -839.515               -842.013                295.560
 CID3   Fr= 1--     -54.307                -55.740                125.873
 RC180  Fr= 1--       0.714                  0.714                 -0.261
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.01    -0.00   0.01  -0.04    -0.01   0.01  -0.03
     2   6    -0.00   0.00   0.01     0.01   0.01   0.04     0.01   0.01   0.03
     3   7    -0.00  -0.01  -0.01    -0.04  -0.03  -0.02    -0.02  -0.03  -0.01
     4  45     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7     0.01  -0.01   0.00     0.02  -0.05   0.02     0.01  -0.03   0.01
     6   7    -0.03  -0.04  -0.02    -0.01  -0.01  -0.01     0.02   0.03   0.01
     7   6     0.00   0.01   0.04     0.01  -0.00   0.01    -0.00  -0.01  -0.03
     8   6     0.01  -0.00  -0.04     0.00  -0.01  -0.01    -0.01   0.01   0.03
     9   7    -0.04   0.01   0.02    -0.02   0.01   0.00     0.03  -0.01  -0.01
    10   7    -0.01   0.04  -0.01     0.01  -0.03   0.01    -0.01   0.03  -0.01
    11   6    -0.00  -0.01   0.03    -0.01   0.01  -0.03    -0.00  -0.01   0.03
    12   6     0.01  -0.00  -0.03    -0.01  -0.00   0.03     0.01   0.00  -0.03
    13   7    -0.03   0.01   0.01     0.04  -0.00  -0.01    -0.04   0.01   0.01
    14   1     0.16   0.23   0.20     0.07   0.09   0.10    -0.12  -0.16  -0.15
    15   1    -0.10  -0.14  -0.23    -0.06  -0.07  -0.08     0.10   0.11   0.16
    16   1     0.29  -0.09  -0.24     0.06  -0.02  -0.03    -0.19   0.05   0.15
    17   1    -0.19   0.05   0.24    -0.02   0.01   0.06     0.15  -0.03  -0.16
    18   1     0.25  -0.03  -0.20    -0.18   0.01   0.12     0.20  -0.02  -0.15
    19   1    -0.17   0.03   0.19     0.10  -0.01  -0.16    -0.15   0.03   0.16
    20   1     0.04  -0.20   0.14    -0.05   0.22  -0.19     0.05  -0.20   0.15
    21   1    -0.02   0.11  -0.17     0.05  -0.15   0.18    -0.05   0.15  -0.16
    22   1    -0.02   0.03  -0.01    -0.13   0.28  -0.24    -0.08   0.18  -0.15
    23   1     0.01  -0.00   0.04     0.08  -0.18   0.25     0.05  -0.15   0.16
    24   1     0.06   0.07   0.09     0.22   0.20   0.22     0.14   0.13   0.15
    25   1    -0.05  -0.06  -0.07    -0.13  -0.13  -0.24    -0.10  -0.11  -0.16
    26   1     0.03   0.06  -0.01     0.08   0.19  -0.07     0.07   0.18  -0.04
    27   1    -0.02   0.02  -0.01    -0.00   0.16  -0.02     0.01   0.11  -0.02
    28   1     0.00   0.02   0.02     0.00   0.21   0.06     0.00   0.20   0.04
    29   1    -0.00   0.05   0.00     0.07   0.14   0.02     0.04   0.10   0.02
    30   1     0.09  -0.11  -0.05    -0.10   0.13   0.04     0.13  -0.16  -0.04
    31   1     0.10  -0.07  -0.01    -0.09   0.03   0.02     0.10  -0.06  -0.02
    32   1     0.15  -0.09   0.05    -0.10   0.06  -0.05     0.17  -0.10   0.04
    33   1     0.05  -0.10   0.02    -0.08   0.08  -0.01     0.07  -0.09   0.02
    34   1     0.21   0.03   0.06     0.04   0.01   0.03    -0.20  -0.03  -0.04
    35   1     0.12   0.09   0.02     0.06   0.01   0.00    -0.10  -0.05  -0.02
    36   1     0.17   0.09  -0.07     0.07   0.05  -0.01    -0.17  -0.09   0.04
    37   1     0.15   0.02  -0.02     0.04  -0.02  -0.01    -0.11  -0.02   0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1346.2580              1348.4601              1348.5031
 Red. masses --      1.1927                 1.1917                 1.1913
 Frc consts  --      1.2736                 1.2767                 1.2764
 IR Inten    --     11.9941                 4.1926                 4.3316
 RamAct Fr= 1--      0.0192                 9.7580                 9.6598
  Dep-P Fr= 1--      0.6431                 0.7498                 0.7499
  Dep-U Fr= 1--      0.7828                 0.8570                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0025                 1.3938                 1.3799
 AlphaG Fr= 1--      0.0000                -0.0001                 0.0000
 Gamma2 Fr= 1--      0.0076                11.3772                11.2574
 Delta2 Fr= 1--     -0.0041                 2.6395                 2.5926
 Raman1 Fr= 1--       0.077                 39.032                 38.639
 ROA1   Fr= 1--       0.597               1176.673               1163.678
 CID1   Fr= 1--       7.783                 30.146                 30.116
 Raman2 Fr= 1--       0.030                 16.726                 16.558
 ROA2   Fr= 1--       0.215                251.937                249.438
 CID2   Fr= 1--       7.149                 15.063                 15.064
 Raman3 Fr= 1--       0.060                 33.452                 33.117
 ROA3   Fr= 1--       0.597               1176.673               1163.678
 CID3   Fr= 1--       9.943                 35.175                 35.138
 RC180  Fr= 1--       0.566                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01  -0.01    -0.04  -0.00  -0.01     0.04   0.01   0.00
     2   6    -0.03   0.02  -0.01    -0.03   0.02  -0.00     0.03  -0.02   0.01
     3   7     0.03   0.01  -0.00     0.02   0.01  -0.00    -0.03  -0.02   0.00
     4  45     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7     0.02  -0.03  -0.00     0.02  -0.03  -0.00    -0.02   0.02   0.00
     6   7     0.01   0.03  -0.00    -0.02  -0.04   0.00    -0.01  -0.01  -0.00
     7   6     0.03  -0.03  -0.01    -0.03   0.04   0.01    -0.00   0.01   0.01
     8   6    -0.00  -0.04  -0.01     0.00   0.05   0.01     0.00   0.01  -0.00
     9   7    -0.03   0.02  -0.00     0.04  -0.02   0.00    -0.00  -0.00   0.00
    10   7    -0.00  -0.03  -0.00     0.00  -0.02   0.00    -0.00  -0.04  -0.00
    11   6     0.03   0.02  -0.01     0.02   0.01  -0.01     0.05   0.02  -0.01
    12   6     0.01   0.03  -0.01     0.00   0.02   0.00     0.02   0.05  -0.01
    13   7    -0.03  -0.01  -0.00    -0.01  -0.00  -0.00    -0.05  -0.01  -0.00
    14   1     0.13   0.16   0.22    -0.18  -0.23  -0.28    -0.01  -0.02  -0.02
    15   1    -0.12  -0.11  -0.05     0.14   0.14   0.08     0.00   0.00  -0.01
    16   1    -0.20   0.05   0.22     0.26  -0.07  -0.27     0.08  -0.02  -0.08
    17   1     0.15  -0.01  -0.05    -0.18   0.02   0.07    -0.06   0.01   0.04
    18   1    -0.19   0.03   0.20    -0.12   0.02   0.12    -0.27   0.03   0.27
    19   1     0.14  -0.04  -0.05     0.09  -0.03  -0.04     0.18  -0.05  -0.07
    20   1     0.05  -0.18   0.21     0.02  -0.07   0.07     0.08  -0.28   0.28
    21   1    -0.06   0.13  -0.05    -0.01   0.04  -0.01    -0.08   0.19  -0.08
    22   1     0.07  -0.19   0.22     0.07  -0.16   0.17    -0.09   0.21  -0.23
    23   1    -0.03   0.15  -0.05    -0.03   0.11  -0.03     0.04  -0.16   0.07
    24   1     0.14   0.15   0.22     0.15   0.15   0.21    -0.14  -0.13  -0.19
    25   1    -0.09  -0.13  -0.05    -0.09  -0.12  -0.07     0.08   0.10   0.04
    26   1     0.09   0.20  -0.01     0.10   0.22  -0.01    -0.09  -0.19   0.01
    27   1    -0.08  -0.03  -0.01    -0.05   0.00  -0.01     0.06   0.02   0.01
    28   1     0.01  -0.22  -0.01     0.01  -0.18  -0.00    -0.00   0.26   0.01
    29   1    -0.06   0.06  -0.01    -0.05   0.04  -0.01     0.05  -0.02   0.01
    30   1     0.11  -0.16  -0.01     0.04  -0.06   0.00     0.19  -0.26  -0.01
    31   1     0.02   0.08  -0.01     0.00   0.04  -0.01     0.03   0.07  -0.02
    32   1    -0.18   0.09  -0.01    -0.13   0.07  -0.01    -0.27   0.15  -0.01
    33   1     0.08   0.02  -0.01     0.01   0.02  -0.01     0.07   0.04  -0.02
    34   1    -0.21  -0.02  -0.01     0.30   0.03   0.01     0.09   0.01   0.01
    35   1     0.06  -0.05  -0.01    -0.05   0.06   0.02     0.01   0.01   0.00
    36   1     0.19   0.12  -0.01    -0.28  -0.17   0.01    -0.01  -0.01  -0.00
    37   1    -0.02  -0.08  -0.01    -0.00   0.08   0.02     0.01   0.02   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1404.5241              1405.5276              1405.7048
 Red. masses --      1.2649                 1.2670                 1.2666
 Frc consts  --      1.4702                 1.4747                 1.4746
 IR Inten    --      0.0749                 1.3551                 1.3702
 RamAct Fr= 1--      0.0100                 2.0202                 2.0875
  Dep-P Fr= 1--      0.7494                 0.7485                 0.7498
  Dep-U Fr= 1--      0.8567                 0.8562                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0014                 0.2883                 0.2982
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0155                -2.7181                -2.8104
 Delta2 Fr= 1--     -0.0069                -1.1348                -1.1769
 Raman1 Fr= 1--       0.040                  8.081                  8.350
 ROA1   Fr= 1--      -1.705               -297.255               -307.461
 CID1   Fr= 1--     -42.603                -36.786                -36.822
 Raman2 Fr= 1--       0.017                  3.459                  3.578
 ROA2   Fr= 1--      -0.316                -56.157                -58.036
 CID2   Fr= 1--     -18.420                -16.233                -16.220
 Raman3 Fr= 1--       0.034                  6.919                  7.156
 ROA3   Fr= 1--      -1.705               -297.255               -307.461
 CID3   Fr= 1--     -49.728                -42.964                -42.966
 RC180  Fr= 1--       0.713                  0.712                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.04    -0.00  -0.01  -0.02     0.01   0.05   0.07
     2   6    -0.00  -0.03   0.04     0.00   0.01  -0.02    -0.01  -0.05   0.07
     3   7     0.01  -0.01  -0.01    -0.00   0.00   0.00     0.01  -0.01  -0.02
     4  45    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.01   0.00  -0.01    -0.01  -0.00   0.01     0.02   0.00  -0.02
     6   7    -0.01   0.01  -0.02    -0.01   0.01  -0.02     0.00  -0.00   0.00
     7   6    -0.04  -0.01   0.05    -0.04  -0.01   0.06     0.01   0.00  -0.02
     8   6     0.04   0.01   0.05     0.04   0.02   0.06    -0.01  -0.01  -0.02
     9   7     0.00   0.02  -0.02     0.00   0.02  -0.02    -0.00  -0.01   0.01
    10   7    -0.01  -0.00  -0.01     0.01   0.01   0.02     0.01   0.01   0.01
    11   6    -0.03   0.02   0.04     0.03  -0.02  -0.05     0.02  -0.02  -0.04
    12   6     0.02  -0.02   0.04    -0.03   0.03  -0.05    -0.02   0.02  -0.05
    13   7    -0.00  -0.01  -0.01     0.00   0.01   0.02     0.00   0.01   0.01
    14   1    -0.09  -0.12  -0.20    -0.10  -0.12  -0.25     0.03   0.04   0.07
    15   1    -0.16  -0.20  -0.21    -0.17  -0.23  -0.25     0.07   0.08   0.08
    16   1     0.14  -0.04  -0.20     0.16  -0.04  -0.24    -0.04   0.00   0.08
    17   1     0.25  -0.06  -0.21     0.28  -0.08  -0.26    -0.06   0.02   0.07
    18   1     0.13  -0.01  -0.17    -0.14   0.02   0.20    -0.11   0.02   0.18
    19   1     0.22  -0.04  -0.18    -0.26   0.04   0.22    -0.20   0.02   0.18
    20   1    -0.03   0.13  -0.17     0.04  -0.13   0.21     0.03  -0.12   0.17
    21   1    -0.07   0.21  -0.18     0.06  -0.23   0.21     0.06  -0.22   0.19
    22   1    -0.06   0.12  -0.17     0.01  -0.04   0.08    -0.07   0.16  -0.26
    23   1    -0.08   0.21  -0.18     0.03  -0.06   0.07    -0.12   0.30  -0.28
    24   1    -0.09  -0.09  -0.17     0.04   0.03   0.07    -0.12  -0.12  -0.27
    25   1    -0.15  -0.16  -0.18     0.07   0.08   0.08    -0.22  -0.22  -0.28
    26   1     0.04   0.08   0.02    -0.02  -0.05  -0.01     0.07   0.13   0.03
    27   1    -0.06  -0.08  -0.01     0.02   0.03   0.00    -0.07  -0.11  -0.01
    28   1     0.01  -0.09   0.02    -0.00   0.02  -0.01     0.01  -0.15   0.03
    29   1    -0.02   0.10  -0.01     0.01  -0.04   0.00    -0.02   0.13  -0.01
    30   1     0.05  -0.08   0.02    -0.06   0.09  -0.02    -0.06   0.09  -0.02
    31   1    -0.04   0.09  -0.01     0.05  -0.09   0.01     0.05  -0.08   0.01
    32   1    -0.09   0.04   0.02     0.12  -0.06  -0.02     0.08  -0.04  -0.02
    33   1     0.10  -0.03  -0.01    -0.10   0.04   0.01    -0.09   0.03   0.01
    34   1    -0.11  -0.00   0.02    -0.14  -0.01   0.03     0.03   0.00  -0.01
    35   1     0.12  -0.01  -0.01     0.12  -0.00  -0.01    -0.04   0.01   0.00
    36   1     0.09   0.06   0.02     0.11   0.08   0.03    -0.05  -0.03  -0.01
    37   1    -0.09  -0.08  -0.01    -0.09  -0.08  -0.01     0.03   0.02   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1443.1425              1443.4477              1446.5816
 Red. masses --      1.4440                 1.4419                 1.4480
 Frc consts  --      1.7718                 1.7700                 1.7853
 IR Inten    --      3.8558                 3.8701                 0.0073
 RamAct Fr= 1--      0.4834                 0.4763                 0.4761
  Dep-P Fr= 1--      0.7462                 0.7466                 0.5755
  Dep-U Fr= 1--      0.8547                 0.8549                 0.7306
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0016
 Beta2  Fr= 1--      0.0689                 0.0679                 0.0580
 AlphaG Fr= 1--      0.0002                -0.0002                -0.0384
 Gamma2 Fr= 1--      0.6483                 0.6728                 0.2982
 Delta2 Fr= 1--      0.5607                 0.5641                 0.3100
 Raman1 Fr= 1--       1.934                  1.905                  1.904
 ROA1   Fr= 1--      80.181                 82.645                 38.550
 CID1   Fr= 1--      41.463                 43.382                 20.243
 Raman2 Fr= 1--       0.826                  0.814                  0.696
 ROA2   Fr= 1--      11.074                 11.635                  4.678
 CID2   Fr= 1--      13.401                 14.288                  6.724
 Raman3 Fr= 1--       1.653                  1.629                  1.391
 ROA3   Fr= 1--      80.181                 82.645                 38.550
 CID3   Fr= 1--      48.513                 50.744                 27.707
 RC180  Fr= 1--       0.709                  0.710                  0.461
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03     0.03   0.02   0.09     0.03   0.01   0.08
     2   6    -0.01   0.01  -0.03    -0.02   0.03  -0.10    -0.02   0.02  -0.07
     3   7    -0.00   0.00   0.01    -0.01   0.01   0.03    -0.01   0.01   0.02
     4  45    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   7     0.01   0.00  -0.01     0.01   0.01  -0.03     0.01   0.01  -0.02
     6   7     0.01  -0.01   0.03     0.00  -0.00   0.01    -0.01   0.00  -0.02
     7   6     0.03  -0.02  -0.10     0.00  -0.00  -0.02    -0.02   0.01   0.07
     8   6     0.01   0.04   0.10     0.00   0.01   0.02    -0.01  -0.02  -0.07
     9   7     0.01   0.01  -0.03     0.00   0.00  -0.00    -0.01  -0.01   0.02
    10   7     0.01   0.00   0.02    -0.01  -0.00  -0.02     0.01   0.00   0.02
    11   6     0.02   0.00  -0.06    -0.03  -0.00   0.08     0.03   0.00  -0.07
    12   6    -0.00  -0.02   0.06    -0.00   0.03  -0.08     0.00  -0.03   0.07
    13   7     0.00  -0.01  -0.02     0.00   0.01   0.02     0.00  -0.01  -0.02
    14   1    -0.11  -0.07  -0.19    -0.03  -0.03  -0.04     0.08   0.07   0.12
    15   1    -0.14  -0.27  -0.36    -0.04  -0.06  -0.07     0.10   0.18   0.23
    16   1    -0.14  -0.01   0.19    -0.02  -0.01   0.03     0.10  -0.01  -0.12
    17   1    -0.28   0.13   0.37    -0.04   0.03   0.07     0.19  -0.08  -0.23
    18   1    -0.08   0.04   0.12     0.09  -0.05  -0.14    -0.10   0.04   0.13
    19   1    -0.20  -0.00   0.23     0.23   0.02  -0.28    -0.22  -0.00   0.25
    20   1    -0.05   0.06  -0.11     0.06  -0.10   0.14    -0.05   0.10  -0.13
    21   1    -0.01   0.18  -0.22     0.03  -0.25   0.28    -0.03   0.22  -0.25
    22   1    -0.01  -0.03   0.06     0.01  -0.13   0.17     0.02  -0.11   0.13
    23   1     0.05  -0.06   0.11     0.15  -0.25   0.34     0.11  -0.20   0.25
    24   1    -0.03  -0.04  -0.06    -0.05  -0.11  -0.17    -0.06  -0.10  -0.13
    25   1    -0.08  -0.07  -0.12    -0.23  -0.16  -0.34    -0.18  -0.14  -0.26
    26   1     0.02   0.03   0.01     0.05   0.08   0.06     0.04   0.05   0.05
    27   1    -0.03  -0.05  -0.00    -0.05  -0.14  -0.01    -0.04  -0.14  -0.00
    28   1    -0.01   0.03  -0.03    -0.02   0.10  -0.06    -0.02   0.06  -0.05
    29   1    -0.01  -0.04   0.00     0.00  -0.15   0.01    -0.01  -0.14  -0.00
    30   1     0.03  -0.06   0.05    -0.04   0.07  -0.04     0.03  -0.06   0.05
    31   1    -0.07   0.07  -0.00     0.08  -0.10   0.00    -0.09   0.10   0.00
    32   1     0.06  -0.02  -0.03    -0.07   0.02   0.06     0.06  -0.02  -0.05
    33   1    -0.09   0.05   0.00     0.10  -0.07  -0.00    -0.11   0.08  -0.00
    34   1     0.10  -0.01  -0.06     0.02  -0.00  -0.02    -0.06   0.01   0.05
    35   1    -0.16  -0.02   0.01    -0.03  -0.02   0.00     0.13   0.03   0.00
    36   1     0.08   0.07   0.07     0.02   0.01   0.00    -0.04  -0.04  -0.05
    37   1    -0.15  -0.08  -0.01    -0.03  -0.03  -0.00     0.12   0.05  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1502.6718              1502.9195              1503.0272
 Red. masses --      1.0825                 1.0796                 1.0836
 Frc consts  --      1.4402                 1.4367                 1.4422
 IR Inten    --     44.5735                18.2203                 8.9762
 RamAct Fr= 1--      1.8263                 2.3417                 6.3181
  Dep-P Fr= 1--      0.3406                 0.7470                 0.1658
  Dep-U Fr= 1--      0.5081                 0.8552                 0.2845
 Alpha2 Fr= 1--      0.0165                 0.0001                 0.0938
 Beta2  Fr= 1--      0.1546                 0.3338                 0.2995
 AlphaG Fr= 1--      0.0437                 0.0003                 0.2502
 Gamma2 Fr= 1--     -0.0667                 0.9450                 0.3509
 Delta2 Fr= 1--      0.0925                 0.7317                 0.3654
 Raman1 Fr= 1--       7.305                  9.367                 25.273
 ROA1   Fr= 1--      -3.446                114.133                 45.382
 CID1   Fr= 1--      -0.472                 12.185                  1.796
 Raman2 Fr= 1--       1.856                  4.005                  3.594
 ROA2   Fr= 1--      -2.341                 16.826                  5.500
 CID2   Fr= 1--      -1.261                  4.201                  1.530
 Raman3 Fr= 1--       3.712                  8.011                  7.189
 ROA3   Fr= 1--      -3.446                114.133                 45.382
 CID3   Fr= 1--      -0.929                 14.248                  6.313
 RC180  Fr= 1--       0.016                  0.710                 -0.431
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.01     0.00   0.00   0.00    -0.00  -0.01   0.00
     2   6     0.01  -0.01  -0.01    -0.01   0.02   0.02     0.01  -0.04  -0.04
     3   7    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.01  -0.00
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   7    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   7    -0.01  -0.00  -0.00    -0.01   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.05   0.01  -0.04    -0.03   0.00  -0.03     0.01  -0.00   0.01
     8   6    -0.00   0.00  -0.01    -0.01  -0.01   0.00     0.01   0.01  -0.01
     9   7     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   7    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.00
    11   6    -0.01   0.00  -0.01    -0.02   0.01  -0.00    -0.04   0.01  -0.03
    12   6     0.01  -0.03  -0.03    -0.02   0.04   0.04    -0.01   0.02   0.01
    13   7     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.00   0.01   0.00
    14   1    -0.01  -0.05   0.03    -0.00   0.05  -0.03     0.00  -0.13   0.09
    15   1    -0.03   0.03   0.06     0.07   0.02  -0.00    -0.14   0.00   0.06
    16   1     0.29  -0.37   0.29     0.21  -0.26   0.20    -0.07   0.09  -0.07
    17   1     0.39   0.30   0.22     0.30   0.21   0.14    -0.10  -0.07  -0.04
    18   1     0.12   0.06   0.08     0.09   0.06   0.07     0.31   0.18   0.22
    19   1     0.05  -0.12   0.08     0.10  -0.11   0.02     0.21  -0.33   0.15
    20   1     0.11   0.29   0.19    -0.16  -0.40  -0.27    -0.08  -0.18  -0.12
    21   1    -0.30   0.12   0.15     0.42  -0.19  -0.19     0.20  -0.11  -0.06
    22   1    -0.13   0.08   0.10     0.19  -0.11  -0.13    -0.34   0.20   0.25
    23   1     0.08   0.13   0.08    -0.11  -0.21  -0.10     0.21   0.37   0.18
    24   1    -0.07  -0.01   0.05     0.01   0.00  -0.00     0.04   0.00  -0.03
    25   1     0.03  -0.06   0.06    -0.01   0.01  -0.01     0.02   0.06   0.01
    26   1    -0.01  -0.03   0.02    -0.00  -0.01  -0.00     0.00   0.00   0.02
    27   1     0.03   0.00   0.00    -0.01  -0.00  -0.00     0.03   0.01   0.00
    28   1     0.00   0.01   0.00     0.00   0.00   0.01     0.00   0.02  -0.01
    29   1     0.01  -0.00   0.00     0.01  -0.01   0.00    -0.00   0.01  -0.00
    30   1    -0.01   0.01  -0.00     0.00  -0.00   0.02    -0.00   0.00   0.02
    31   1    -0.00  -0.00  -0.00    -0.01  -0.03   0.00    -0.01  -0.03   0.00
    32   1     0.01  -0.01   0.01    -0.01   0.00  -0.03     0.00  -0.00  -0.02
    33   1    -0.02  -0.01   0.00     0.04   0.02  -0.00     0.02   0.01  -0.00
    34   1     0.02   0.01  -0.01    -0.02  -0.00  -0.03    -0.01  -0.00   0.01
    35   1     0.01   0.00  -0.00     0.02  -0.02  -0.00    -0.01   0.00   0.00
    36   1    -0.01  -0.01   0.02     0.01   0.00   0.01    -0.02  -0.01   0.00
    37   1     0.00   0.04   0.00     0.00   0.02   0.00    -0.00   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1503.3185              1503.5781              1503.9600
 Red. masses --      1.0792                 1.0792                 1.0798
 Frc consts  --      1.4370                 1.4375                 1.4391
 IR Inten    --      4.8342                21.8620                 6.1460
 RamAct Fr= 1--     12.3829                 3.2371                11.5686
  Dep-P Fr= 1--      0.7499                 0.7077                 0.6554
  Dep-U Fr= 1--      0.8570                 0.8288                 0.7918
 Alpha2 Fr= 1--      0.0000                 0.0024                 0.0196
 Beta2  Fr= 1--      1.7688                 0.4472                 1.5268
 AlphaG Fr= 1--      0.0002                 0.0060                 0.0516
 Gamma2 Fr= 1--     -5.5091                 0.9281                -3.7930
 Delta2 Fr= 1--     -1.2951                 0.8996                -0.6108
 Raman1 Fr= 1--      49.532                 12.948                 46.274
 ROA1   Fr= 1--    -570.317                117.881               -383.669
 CID1   Fr= 1--     -11.514                  9.104                 -8.291
 Raman2 Fr= 1--      21.225                  5.366                 18.321
 ROA2   Fr= 1--    -121.858                 15.077                -86.145
 CID2   Fr= 1--      -5.741                  2.810                 -4.702
 Raman3 Fr= 1--      42.451                 10.732                 36.642
 ROA3   Fr= 1--    -570.317                117.881               -383.669
 CID3   Fr= 1--     -13.435                 10.984                -10.471
 RC180  Fr= 1--       0.714                  0.658                  0.584
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.00    -0.01  -0.02   0.02    -0.04  -0.04   0.05
     2   6     0.01  -0.04  -0.03     0.00  -0.01  -0.00    -0.00   0.00   0.01
     3   7     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4  45     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
     6   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.01   0.00  -0.01    -0.00  -0.00   0.01    -0.00   0.00  -0.01
     8   6    -0.01  -0.01   0.00    -0.04  -0.04   0.04     0.01   0.01  -0.02
     9   7     0.00  -0.00   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    10   7     0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6     0.04  -0.01   0.04    -0.01   0.00  -0.01     0.00  -0.00  -0.00
    12   6    -0.00   0.01   0.02     0.00  -0.01  -0.01     0.00  -0.01  -0.00
    13   7    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.00   0.07  -0.04     0.01   0.54  -0.33    -0.00  -0.21   0.13
    15   1     0.09   0.02  -0.02     0.58   0.01  -0.24    -0.22  -0.00   0.10
    16   1     0.08  -0.11   0.08    -0.02   0.01  -0.01     0.04  -0.04   0.03
    17   1     0.13   0.08   0.05     0.02  -0.03  -0.05     0.03   0.04   0.04
    18   1    -0.37  -0.21  -0.26     0.13   0.07   0.08    -0.01  -0.01  -0.01
    19   1    -0.22   0.39  -0.20     0.09  -0.13   0.06    -0.02   0.02   0.00
    20   1    -0.06  -0.17  -0.11     0.03   0.07   0.04     0.02   0.05   0.03
    21   1     0.17  -0.04  -0.11    -0.07   0.02   0.04    -0.06   0.04   0.01
    22   1    -0.30   0.18   0.21    -0.05   0.03   0.04     0.06  -0.04  -0.04
    23   1     0.17   0.34   0.14     0.02   0.07   0.01    -0.05  -0.03  -0.07
    24   1     0.06   0.00  -0.04     0.21   0.03  -0.13     0.55   0.08  -0.34
    25   1     0.02   0.08   0.00    -0.02   0.22  -0.09    -0.07   0.59  -0.25
    26   1    -0.00  -0.01   0.02     0.00   0.00   0.01    -0.00   0.00   0.02
    27   1     0.03   0.01   0.00     0.01   0.00   0.00     0.01   0.01   0.00
    28   1    -0.00  -0.02  -0.02     0.00   0.00  -0.01    -0.00  -0.01  -0.02
    29   1    -0.03   0.02  -0.00    -0.01   0.01  -0.00    -0.04   0.02  -0.00
    30   1     0.01  -0.01  -0.01     0.00  -0.00  -0.00     0.02  -0.02  -0.01
    31   1     0.01   0.03  -0.00     0.00  -0.00   0.00     0.01   0.02  -0.00
    32   1    -0.01   0.01   0.01    -0.02   0.01  -0.02     0.01  -0.01   0.01
    33   1     0.00   0.00   0.00     0.02   0.01  -0.00    -0.01  -0.01   0.00
    34   1    -0.01  -0.00  -0.01    -0.00  -0.00  -0.02     0.01   0.00   0.01
    35   1     0.01  -0.01  -0.00     0.03  -0.03  -0.00    -0.01   0.01   0.00
    36   1    -0.02  -0.01   0.02     0.00  -0.00   0.02     0.00   0.00  -0.01
    37   1    -0.00   0.03   0.00     0.01   0.02   0.00    -0.00  -0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1643.7687              1657.2017              1657.7968
 Red. masses --      1.0765                 1.0784                 1.0781
 Frc consts  --      1.7137                 1.7450                 1.7457
 IR Inten    --     84.6136                39.8373                41.2688
 RamAct Fr= 1--      0.0136                 6.0021                 5.6296
  Dep-P Fr= 1--      0.7391                 0.7500                 0.7499
  Dep-U Fr= 1--      0.8500                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0019                 0.8574                 0.8042
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0002
 Gamma2 Fr= 1--      0.0053                 4.2257                 3.6688
 Delta2 Fr= 1--      0.0081                 5.0517                 4.6808
 Raman1 Fr= 1--       0.054                 24.008                 22.518
 ROA1   Fr= 1--       0.766                567.320                501.996
 CID1   Fr= 1--      14.101                 23.630                 22.293
 Raman2 Fr= 1--       0.023                 10.289                  9.650
 ROA2   Fr= 1--       0.061                 61.002                 50.606
 CID2   Fr= 1--       2.664                  5.929                  5.244
 Raman3 Fr= 1--       0.046                 20.578                 19.300
 ROA3   Fr= 1--       0.766                567.320                501.996
 CID3   Fr= 1--      16.590                 27.569                 26.010
 RC180  Fr= 1--       0.700                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.01
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
     3   7    -0.02   0.01  -0.02    -0.02   0.02  -0.02    -0.01   0.01  -0.01
     4  45    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     5   7    -0.02  -0.01  -0.02     0.01   0.00   0.01    -0.03  -0.01  -0.02
     6   7     0.02  -0.02  -0.02    -0.02   0.01   0.02    -0.02   0.02   0.02
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.01
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
     9   7    -0.00  -0.02  -0.02     0.00   0.02   0.02    -0.00  -0.03  -0.02
    10   7     0.02   0.01  -0.02    -0.01  -0.00   0.01    -0.03  -0.01   0.02
    11   6     0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.01   0.01
    12   6     0.00   0.00  -0.00     0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    13   7     0.01   0.02  -0.02     0.01   0.03  -0.02    -0.00  -0.01   0.01
    14   1     0.01   0.02  -0.00    -0.01  -0.01   0.00     0.02  -0.02   0.03
    15   1     0.00  -0.01  -0.01     0.00   0.01   0.01    -0.04  -0.00   0.01
    16   1    -0.02   0.01  -0.00     0.01  -0.00   0.00     0.00   0.02  -0.03
    17   1     0.00  -0.01  -0.01    -0.00   0.01   0.01    -0.03  -0.02  -0.01
    18   1    -0.02  -0.00  -0.00    -0.01  -0.02  -0.03     0.01  -0.01  -0.01
    19   1     0.01   0.01  -0.01    -0.01   0.02  -0.01    -0.02   0.01   0.00
    20   1     0.00  -0.02   0.00     0.02   0.00   0.02     0.00   0.01   0.01
    21   1     0.01   0.01  -0.01    -0.02   0.02   0.00    -0.01   0.00   0.00
    22   1     0.01  -0.02  -0.00    -0.02  -0.01   0.02     0.01  -0.01  -0.01
    23   1    -0.01   0.00  -0.01     0.01   0.03   0.00    -0.01  -0.01  -0.01
    24   1     0.02   0.01  -0.00     0.02  -0.01  -0.03    -0.00   0.01   0.01
    25   1    -0.01   0.00  -0.01    -0.00   0.03  -0.01    -0.01  -0.02  -0.00
    26   1     0.06   0.08   0.27    -0.04  -0.05  -0.16     0.07   0.10   0.31
    27   1     0.28  -0.04   0.02    -0.17   0.02  -0.01     0.34  -0.02   0.03
    28   1     0.03  -0.11   0.28     0.04  -0.13   0.36     0.01  -0.04   0.12
    29   1     0.29  -0.07   0.02     0.37  -0.12   0.03     0.12  -0.04   0.01
    30   1     0.04  -0.10   0.29     0.05  -0.13   0.36    -0.01   0.03  -0.10
    31   1    -0.19  -0.24   0.02    -0.23  -0.33   0.03     0.05   0.09  -0.01
    32   1    -0.10   0.03   0.26     0.05  -0.01  -0.13     0.12  -0.03  -0.31
    33   1    -0.19  -0.19   0.02     0.10   0.10  -0.01     0.25   0.23  -0.03
    34   1    -0.10   0.01   0.27     0.09  -0.01  -0.24     0.12  -0.02  -0.33
    35   1    -0.10   0.26   0.02     0.11  -0.23  -0.02     0.15  -0.33  -0.03
    36   1     0.07   0.07   0.26    -0.07  -0.07  -0.25     0.08   0.08   0.30
    37   1    -0.08   0.27   0.02     0.05  -0.27  -0.02    -0.08   0.32   0.03
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1659.4543              1667.5236              1668.0859
 Red. masses --      1.0788                 1.0780                 1.0776
 Frc consts  --      1.7504                 1.7660                 1.7667
 IR Inten    --      0.3598                31.2951                32.9982
 RamAct Fr= 1--      3.0570                 5.0664                 4.8148
  Dep-P Fr= 1--      0.7408                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8511                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0005                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4336                 0.7238                 0.6878
 AlphaG Fr= 1--     -0.0128                -0.0001                -0.0000
 Gamma2 Fr= 1--     -9.1518                 3.8065                 3.6046
 Delta2 Fr= 1--     -4.0195                 0.0889                -0.0448
 Raman1 Fr= 1--      12.228                 20.266                 19.259
 ROA1   Fr= 1--   -1007.200                368.264                344.612
 CID1   Fr= 1--     -82.368                 18.172                 17.894
 Raman2 Fr= 1--       5.204                  8.685                  8.254
 ROA2   Fr= 1--    -187.488                 90.644                 86.869
 CID2   Fr= 1--     -36.030                 10.437                 10.525
 Raman3 Fr= 1--      10.407                 17.370                 16.508
 ROA3   Fr= 1--   -1007.200                368.264                344.612
 CID3   Fr= 1--     -96.778                 21.201                 20.876
 RC180  Fr= 1--       0.702                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
     2   6     0.00   0.00   0.01     0.00   0.00   0.01     0.00   0.00   0.01
     3   7     0.02  -0.01   0.02     0.03  -0.02   0.02     0.01  -0.00   0.01
     4  45    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7    -0.03  -0.00  -0.02     0.01   0.00   0.01    -0.03  -0.01  -0.02
     6   7     0.01  -0.01  -0.01    -0.01   0.02   0.02    -0.02   0.02   0.02
     7   6     0.00  -0.00  -0.01     0.00   0.00   0.01     0.00   0.00   0.00
     8   6    -0.00   0.00   0.01     0.00  -0.00  -0.01    -0.00   0.00   0.00
     9   7     0.00   0.02   0.02    -0.00  -0.02  -0.02     0.00   0.02   0.02
    10   7    -0.02  -0.01   0.02     0.01   0.00  -0.01     0.03   0.01  -0.03
    11   6    -0.00  -0.00   0.01     0.00   0.00   0.00     0.00   0.00  -0.01
    12   6     0.00   0.00  -0.01     0.00   0.00  -0.01    -0.00   0.00   0.00
    13   7     0.01   0.02  -0.02     0.01   0.03  -0.02    -0.00  -0.00   0.00
    14   1    -0.01   0.00  -0.01     0.01  -0.00   0.02    -0.01  -0.01  -0.00
    15   1     0.00  -0.01  -0.01    -0.01   0.01   0.01     0.00   0.00   0.00
    16   1    -0.01  -0.01   0.01     0.01   0.01  -0.02     0.01   0.00  -0.01
    17   1    -0.00   0.01   0.02    -0.01  -0.01  -0.01    -0.00   0.00  -0.00
    18   1     0.00  -0.02  -0.02    -0.01  -0.00  -0.01    -0.01   0.01   0.02
    19   1    -0.00   0.02  -0.02     0.00   0.01  -0.01     0.00  -0.01   0.01
    20   1     0.02   0.00   0.02     0.01  -0.01   0.01    -0.01  -0.01  -0.01
    21   1    -0.02  -0.00   0.02    -0.01   0.00   0.01     0.01   0.00  -0.01
    22   1     0.01   0.01  -0.02     0.00   0.02  -0.01     0.01   0.00  -0.01
    23   1    -0.01  -0.01  -0.02    -0.00  -0.01  -0.00    -0.01  -0.00  -0.01
    24   1    -0.01   0.01   0.02    -0.01  -0.01   0.00    -0.00   0.02   0.02
    25   1     0.01  -0.01   0.02     0.01  -0.00   0.01     0.01  -0.01   0.01
    26   1     0.06   0.06   0.32    -0.03  -0.03  -0.18     0.07   0.07   0.34
    27   1     0.33  -0.04   0.03    -0.18   0.03  -0.02     0.36  -0.03   0.03
    28   1    -0.03   0.07  -0.29    -0.04   0.10  -0.36    -0.01   0.03  -0.08
    29   1    -0.29   0.07  -0.03    -0.36   0.11  -0.03    -0.08   0.04  -0.01
    30   1     0.02  -0.07   0.28     0.03  -0.10   0.37    -0.01   0.01  -0.03
    31   1    -0.18  -0.23   0.03    -0.22  -0.32   0.03     0.01   0.03  -0.00
    32   1     0.09  -0.01  -0.31    -0.03   0.00   0.12    -0.11   0.02   0.39
    33   1     0.23   0.23  -0.03    -0.08  -0.09   0.01    -0.30  -0.27   0.03
    34   1    -0.05   0.02   0.21     0.07  -0.01  -0.23     0.08  -0.02  -0.32
    35   1    -0.08   0.20   0.02     0.11  -0.22  -0.02     0.14  -0.31  -0.03
    36   1    -0.03  -0.05  -0.23     0.06   0.07   0.29    -0.05  -0.06  -0.28
    37   1     0.07  -0.23  -0.02    -0.06   0.30   0.02     0.07  -0.29  -0.02
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3071.0024              3071.1302              3071.5942
 Red. masses --      1.0632                 1.0632                 1.0630
 Frc consts  --      5.9078                 5.9081                 5.9089
 IR Inten    --      5.9240                 5.1293                 5.3972
 RamAct Fr= 1--    178.6706               237.0768               228.1028
  Dep-P Fr= 1--      0.0426                 0.0322                 0.0338
  Dep-U Fr= 1--      0.0816                 0.0624                 0.0654
 Alpha2 Fr= 1--      3.5923                 4.8848                 4.6819
 Beta2  Fr= 1--      2.4308                 2.4655                 2.4879
 AlphaG Fr= 1--      0.1333                 0.1783                 0.1624
 Gamma2 Fr= 1--      9.9351                 0.2601                 2.0470
 Delta2 Fr= 1--      8.2231                 2.2181                 3.3136
 Raman1 Fr= 1--     714.682                948.307                912.411
 ROA1   Fr= 1--    1216.907                 95.952                302.548
 CID1   Fr= 1--       1.703                  0.101                  0.332
 Raman2 Fr= 1--      29.170                 29.587                 29.855
 ROA2   Fr= 1--     172.657                -11.501                 22.620
 CID2   Fr= 1--       5.919                 -0.389                  0.758
 Raman3 Fr= 1--      58.340                 59.173                 59.709
 ROA3   Fr= 1--    1216.907                 95.952                302.548
 CID3   Fr= 1--      20.859                  1.622                  5.067
 RC180  Fr= 1--      -0.837                 -0.875                 -0.869
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.03  -0.02   0.03
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.02  -0.03  -0.03
     3   7    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4  45    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   7     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.00     0.03  -0.02   0.03     0.00  -0.00   0.00
     8   6     0.00   0.00  -0.00     0.01   0.03  -0.03     0.00   0.00  -0.00
     9   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   7    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6     0.03   0.00   0.03    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.04  -0.04    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.03   0.01   0.01    -0.34   0.10   0.11    -0.01   0.00   0.00
    15   1     0.01  -0.04   0.02     0.16  -0.49   0.26     0.00  -0.01   0.01
    16   1    -0.02  -0.02  -0.01    -0.22  -0.30  -0.12    -0.00  -0.00  -0.00
    17   1    -0.01   0.04  -0.02    -0.18   0.51  -0.28    -0.00   0.01  -0.00
    18   1    -0.08   0.33  -0.11     0.01  -0.03   0.01     0.00  -0.00   0.00
    19   1    -0.34  -0.38  -0.26     0.03   0.03   0.02     0.00   0.00   0.00
    20   1    -0.38   0.04   0.12     0.03  -0.00  -0.01     0.01  -0.00  -0.00
    21   1     0.36   0.42   0.28    -0.03  -0.03  -0.02    -0.01  -0.01  -0.00
    22   1     0.00   0.00   0.00    -0.01  -0.01  -0.00     0.27   0.25   0.11
    23   1    -0.00   0.00   0.00     0.01  -0.00  -0.01    -0.51   0.11   0.27
    24   1    -0.00   0.01  -0.00     0.00  -0.01   0.00    -0.15   0.34  -0.12
    25   1     0.01  -0.00  -0.00    -0.01   0.00   0.00     0.52  -0.10  -0.27
    26   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.00  -0.00
    27   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    28   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01   0.00   0.00
    29   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    30   1    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    32   1     0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    34   1     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    35   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    36   1    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.00  -0.00   0.00
    37   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3076.0315              3076.1921              3076.4755
 Red. masses --      1.0604                 1.0604                 1.0604
 Frc consts  --      5.9113                 5.9121                 5.9131
 IR Inten    --      3.5265                11.1498                10.0478
 RamAct Fr= 1--     13.0200                60.4998                54.5550
  Dep-P Fr= 1--      0.6913                 0.7499                 0.7500
  Dep-U Fr= 1--      0.8175                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0134                 0.0001                 0.0000
 Beta2  Fr= 1--      1.7739                 8.6423                 7.7935
 AlphaG Fr= 1--     -0.0001                 0.0000                -0.0000
 Gamma2 Fr= 1--     -1.8514                -9.0914                -8.2077
 Delta2 Fr= 1--     -1.5407                -7.4369                -6.6282
 Raman1 Fr= 1--      52.080                241.999                218.220
 ROA1   Fr= 1--    -227.036              -1110.756              -1000.038
 CID1   Fr= 1--      -4.359                 -4.590                 -4.583
 Raman2 Fr= 1--      21.286                103.708                 93.521
 ROA2   Fr= 1--     -32.108               -158.699               -143.959
 CID2   Fr= 1--      -1.508                 -1.530                 -1.539
 Raman3 Fr= 1--      42.573                207.415                187.043
 ROA3   Fr= 1--    -227.036              -1110.756              -1000.038
 CID3   Fr= 1--      -5.333                 -5.355                 -5.347
 RC180  Fr= 1--       0.635                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.02  -0.03   0.03
     2   6    -0.00   0.01   0.01    -0.00   0.00   0.00    -0.01   0.04   0.03
     3   7     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4  45     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.02  -0.00   0.02     0.03  -0.00   0.03    -0.01   0.00  -0.01
     8   6    -0.01  -0.01   0.02    -0.02  -0.02   0.03     0.00   0.00  -0.01
     9   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    10   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   6     0.03  -0.01   0.03    -0.02   0.01  -0.02    -0.00   0.00  -0.00
    12   6    -0.01   0.03   0.03     0.01  -0.02  -0.02     0.00  -0.00  -0.00
    13   7    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    14   1     0.24  -0.07  -0.08     0.40  -0.12  -0.13    -0.08   0.02   0.02
    15   1    -0.07   0.22  -0.12    -0.12   0.36  -0.20     0.02  -0.07   0.04
    16   1    -0.15  -0.20  -0.07    -0.24  -0.32  -0.12     0.05   0.07   0.03
    17   1    -0.07   0.21  -0.11    -0.11   0.33  -0.18     0.02  -0.07   0.04
    18   1    -0.10   0.41  -0.13     0.06  -0.26   0.08     0.02  -0.07   0.02
    19   1    -0.25  -0.29  -0.20     0.16   0.18   0.13     0.04   0.05   0.03
    20   1     0.38  -0.04  -0.12    -0.25   0.03   0.08    -0.06   0.01   0.02
    21   1    -0.22  -0.26  -0.18     0.15   0.17   0.12     0.04   0.04   0.03
    22   1    -0.07  -0.07  -0.03    -0.02  -0.02  -0.01    -0.35  -0.33  -0.15
    23   1     0.09  -0.02  -0.05     0.03  -0.01  -0.01     0.42  -0.08  -0.22
    24   1    -0.04   0.09  -0.03    -0.02   0.03  -0.01    -0.19   0.43  -0.14
    25   1     0.09  -0.02  -0.05     0.03  -0.01  -0.02     0.41  -0.08  -0.22
    26   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    28   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    29   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.01
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    33   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    34   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    35   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    36   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    37   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3116.6589              3116.7471              3116.9752
 Red. masses --      1.1078                 1.1079                 1.1080
 Frc consts  --      6.3401                 6.3408                 6.3426
 IR Inten    --     11.5299                10.4188                 1.2212
 RamAct Fr= 1--    120.0180               124.5400               159.9544
  Dep-P Fr= 1--      0.7338                 0.6207                 0.1288
  Dep-U Fr= 1--      0.8464                 0.7660                 0.2283
 Alpha2 Fr= 1--      0.0333                 0.2944                 2.6079
 Beta2  Fr= 1--     16.9314                15.8990                 6.0856
 AlphaG Fr= 1--     -0.0199                -0.1738                -1.5742
 Gamma2 Fr= 1--    -18.8387                -7.8186                93.9188
 Delta2 Fr= 1--    -30.4968               -21.2948                63.6453
 Raman1 Fr= 1--     480.072                498.160                639.818
 ROA1   Fr= 1--   -2784.416              -1432.022              11052.857
 CID1   Fr= 1--      -5.800                 -2.875                 17.275
 Raman2 Fr= 1--     203.177                190.788                 73.028
 ROA2   Fr= 1--    -208.156                -17.289               1744.890
 CID2   Fr= 1--      -1.025                 -0.091                 23.894
 Raman3 Fr= 1--     406.354                381.576                146.055
 ROA3   Fr= 1--   -2784.416              -1432.022              11052.857
 CID3   Fr= 1--      -6.852                 -3.753                 75.676
 RC180  Fr= 1--       0.693                  0.532                 -0.543
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.03  -0.03   0.00     0.04  -0.04   0.00
     2   6     0.01   0.00   0.00    -0.04  -0.02  -0.00    -0.05  -0.02  -0.00
     3   7    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.01  -0.04  -0.00    -0.01  -0.05  -0.00     0.01   0.03   0.00
     8   6    -0.03   0.02   0.00    -0.04   0.03   0.00     0.02  -0.02  -0.00
     9   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.01   0.05  -0.00    -0.00  -0.03   0.00     0.00   0.03  -0.00
    12   6    -0.05  -0.01   0.00     0.03   0.01  -0.00    -0.03  -0.01   0.00
    13   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1     0.30  -0.08  -0.10     0.38  -0.10  -0.13    -0.24   0.07   0.08
    15   1     0.05  -0.18   0.10     0.07  -0.22   0.12    -0.04   0.14  -0.08
    16   1     0.19   0.25   0.10     0.24   0.32   0.13    -0.15  -0.20  -0.08
    17   1    -0.06   0.17  -0.10    -0.08   0.22  -0.13     0.05  -0.14   0.08
    18   1     0.12  -0.45   0.15    -0.06   0.22  -0.08     0.05  -0.21   0.07
    19   1    -0.18  -0.20  -0.14     0.09   0.10   0.07    -0.09  -0.09  -0.07
    20   1     0.47  -0.06  -0.16    -0.23   0.03   0.08     0.22  -0.03  -0.07
    21   1     0.17   0.21   0.15    -0.09  -0.10  -0.07     0.08   0.10   0.07
    22   1    -0.03  -0.03  -0.02     0.23   0.23   0.11     0.32   0.32   0.15
    23   1    -0.03   0.01   0.02     0.19  -0.04  -0.10     0.26  -0.06  -0.14
    24   1     0.02  -0.05   0.02    -0.13   0.30  -0.11    -0.18   0.42  -0.15
    25   1     0.03  -0.01  -0.02    -0.19   0.03   0.10    -0.27   0.05   0.14
    26   1    -0.00   0.00   0.00     0.01  -0.00  -0.00     0.01  -0.01  -0.00
    27   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    28   1     0.00  -0.00  -0.00    -0.01  -0.00   0.00    -0.01  -0.00   0.00
    29   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    30   1    -0.01  -0.01  -0.00     0.01   0.00   0.00    -0.01  -0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1     0.01   0.01   0.00    -0.00  -0.01  -0.00     0.00   0.01   0.00
    33   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    34   1     0.00  -0.01   0.00    -0.00  -0.01   0.00     0.00   0.01  -0.00
    35   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    36   1    -0.01   0.01  -0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00
    37   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3127.2569              3127.3503              3127.6214
 Red. masses --      1.1101                 1.1102                 1.1101
 Frc consts  --      6.3967                 6.3972                 6.3980
 IR Inten    --      1.0789                 3.9465                 4.4449
 RamAct Fr= 1--     64.9080                41.5883                36.7660
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      9.2726                 5.9412                 5.2523
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--    -42.6622               -27.2857               -24.3486
 Delta2 Fr= 1--     -6.3568                -4.0794                -3.6319
 Raman1 Fr= 1--     259.632                166.353                147.064
 ROA1   Fr= 1--   -4298.991              -2749.967              -2453.686
 CID1   Fr= 1--     -16.558                -16.531                -16.684
 Raman2 Fr= 1--     111.271                 71.294                 63.027
 ROA2   Fr= 1--    -973.038               -622.221               -555.312
 CID2   Fr= 1--      -8.745                 -8.728                 -8.811
 Raman3 Fr= 1--     222.542                142.588                126.055
 ROA3   Fr= 1--   -4298.991              -2749.967              -2453.686
 CID3   Fr= 1--     -19.318                -19.286                -19.465
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.05   0.04   0.01
     2   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.06  -0.02   0.01
     3   7     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4  45    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     7   6    -0.00  -0.02   0.00     0.01   0.06  -0.01    -0.00  -0.01   0.00
     8   6     0.02  -0.02   0.00    -0.05   0.04  -0.01     0.01  -0.01   0.00
     9   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    11   6    -0.02  -0.06  -0.01    -0.01  -0.02  -0.00     0.00   0.01   0.00
    12   6    -0.06  -0.02  -0.01    -0.02  -0.01  -0.00     0.01   0.00   0.00
    13   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.16   0.04   0.05     0.42  -0.11  -0.14    -0.05   0.01   0.02
    15   1    -0.05   0.15  -0.08     0.13  -0.40   0.23    -0.02   0.05  -0.03
    16   1     0.10   0.13   0.05    -0.26  -0.34  -0.14     0.03   0.04   0.02
    17   1    -0.05   0.14  -0.08     0.14  -0.39   0.22    -0.02   0.05  -0.03
    18   1    -0.11   0.42  -0.15    -0.04   0.15  -0.05     0.01  -0.04   0.01
    19   1     0.28   0.31   0.23     0.10   0.11   0.08    -0.03  -0.03  -0.02
    20   1     0.43  -0.05  -0.14     0.15  -0.02  -0.05    -0.05   0.01   0.02
    21   1     0.26   0.32   0.22     0.09   0.11   0.08    -0.03  -0.03  -0.02
    22   1     0.02   0.01   0.01     0.05   0.05   0.02     0.32   0.32   0.15
    23   1     0.02  -0.00  -0.01     0.06  -0.01  -0.04     0.43  -0.10  -0.24
    24   1     0.01  -0.02   0.01     0.02  -0.06   0.02     0.18  -0.42   0.15
    25   1     0.02  -0.00  -0.01     0.06  -0.01  -0.03     0.43  -0.08  -0.24
    26   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.01
    27   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    28   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.02  -0.00   0.01
    29   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    30   1    -0.01  -0.01  -0.01    -0.01  -0.00  -0.00     0.00  -0.00   0.00
    31   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    32   1    -0.00  -0.02  -0.01    -0.00  -0.01  -0.00     0.00   0.00   0.00
    33   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    34   1     0.00  -0.01   0.00     0.00   0.02  -0.01    -0.00  -0.00   0.00
    35   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    36   1     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    37   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3431.9158              3432.0260              3433.1910
 Red. masses --      1.0523                 1.0523                 1.0528
 Frc consts  --      7.3022                 7.3027                 7.3109
 IR Inten    --     50.8998                48.8915                72.3742
 RamAct Fr= 1--     10.6273                 9.9833                 7.1569
  Dep-P Fr= 1--      0.6812                 0.7478                 0.7500
  Dep-U Fr= 1--      0.8104                 0.8557                 0.8571
 Alpha2 Fr= 1--      0.0129                 0.0004                 0.0000
 Beta2  Fr= 1--      1.4353                 1.4238                 1.0224
 AlphaG Fr= 1--      0.0025                 0.0003                 0.0000
 Gamma2 Fr= 1--     13.7809                13.5600                -3.1399
 Delta2 Fr= 1--      0.8880                 0.4581                 0.0924
 Raman1 Fr= 1--      42.509                 39.933                 28.628
 ROA1   Fr= 1--    1351.384               1316.416               -298.469
 CID1   Fr= 1--      31.790                 32.965                -10.426
 Raman2 Fr= 1--      17.224                 17.085                 12.269
 ROA2   Fr= 1--     323.637                321.774                -76.096
 CID2   Fr= 1--      18.790                 18.834                 -6.202
 Raman3 Fr= 1--      34.448                 34.170                 24.538
 ROA3   Fr= 1--    1351.384               1316.416               -298.469
 CID3   Fr= 1--      39.230                 38.525                -12.164
 RC180  Fr= 1--       0.621                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   7    -0.03   0.01  -0.02     0.00  -0.00   0.00    -0.03   0.01  -0.02
     4  45    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7     0.00  -0.00   0.00    -0.03   0.00  -0.02    -0.02   0.00  -0.01
     6   7     0.01  -0.02  -0.02    -0.00   0.01   0.01    -0.00   0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     9   7    -0.00   0.01   0.01    -0.01   0.02   0.02     0.00  -0.00  -0.00
    10   7    -0.01  -0.01   0.01     0.02   0.02  -0.02     0.01   0.01  -0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   7    -0.01  -0.02   0.02    -0.01  -0.01   0.01     0.02   0.02  -0.02
    14   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   1    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00   0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
    21   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    22   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
    23   1     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    24   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    26   1    -0.05   0.02   0.01     0.41  -0.13  -0.08     0.26  -0.08  -0.05
    27   1     0.01  -0.01  -0.04    -0.05   0.07   0.37    -0.03   0.04   0.23
    28   1     0.46  -0.04  -0.09    -0.06   0.01   0.01     0.48  -0.04  -0.09
    29   1    -0.08  -0.05   0.41     0.01   0.01  -0.05    -0.08  -0.05   0.41
    30   1     0.24   0.22   0.06     0.21   0.19   0.05    -0.35  -0.32  -0.09
    31   1    -0.06  -0.01  -0.28    -0.05  -0.01  -0.25     0.09   0.01   0.40
    32   1     0.10   0.14   0.03    -0.22  -0.32  -0.07    -0.08  -0.11  -0.03
    33   1     0.00  -0.03  -0.15    -0.00   0.07   0.34    -0.00   0.02   0.11
    34   1    -0.08   0.35  -0.07     0.03  -0.15   0.03     0.01  -0.07   0.01
    35   1    -0.03  -0.06   0.31     0.01   0.03  -0.13     0.01   0.01  -0.07
    36   1     0.10  -0.22   0.05     0.14  -0.29   0.06    -0.02   0.05  -0.01
    37   1    -0.04   0.02  -0.22    -0.05   0.03  -0.28     0.01  -0.00   0.03
                     97                     98                     99
                      A                      A                      A
 Frequencies --   3433.3452              3433.4408              3435.2884
 Red. masses --      1.0530                 1.0528                 1.0527
 Frc consts  --      7.3130                 7.3126                 7.3198
 IR Inten    --     16.8195                53.0647                 0.1413
 RamAct Fr= 1--     14.2880                 9.5925               433.0666
  Dep-P Fr= 1--      0.7418                 0.7130                 0.0035
  Dep-U Fr= 1--      0.8518                 0.8325                 0.0070
 Alpha2 Fr= 1--      0.0020                 0.0061                 9.5448
 Beta2  Fr= 1--      2.0284                 1.3309                 0.5074
 AlphaG Fr= 1--      0.0007                 0.0023                 2.5200
 Gamma2 Fr= 1--     -6.6842                -4.6621               -13.5033
 Delta2 Fr= 1--     -0.0802                -0.2179                -1.3081
 Raman1 Fr= 1--      57.152                 38.370               1732.267
 ROA1   Fr= 1--    -644.251               -454.531              -1338.176
 CID1   Fr= 1--     -11.273                -11.846                 -0.773
 Raman2 Fr= 1--      24.341                 15.971                  6.089
 ROA2   Fr= 1--    -159.779               -110.146               -313.614
 CID2   Fr= 1--      -6.564                 -6.897                -51.502
 Raman3 Fr= 1--      48.682                 31.941                 12.179
 ROA3   Fr= 1--    -644.251               -454.531              -1338.176
 CID3   Fr= 1--     -13.234                -14.230               -109.878
 RC180  Fr= 1--       0.704                  0.665                 -0.986
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   7    -0.00   0.00  -0.00     0.01  -0.00   0.01     0.02  -0.00   0.01
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.03   0.00  -0.02     0.00  -0.00   0.00    -0.02   0.00  -0.01
     6   7     0.00  -0.00  -0.00     0.01  -0.03  -0.03     0.01  -0.02  -0.01
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   7     0.01  -0.03  -0.02     0.00  -0.01  -0.01    -0.01   0.02   0.02
    10   7    -0.01  -0.01   0.01     0.02   0.02  -0.02    -0.01  -0.01   0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   7    -0.01  -0.01   0.01     0.00   0.00  -0.00     0.01   0.01  -0.01
    14   1    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    16   1     0.00   0.00   0.00     0.00   0.01   0.00     0.00   0.00   0.00
    17   1     0.00  -0.00   0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    18   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00   0.00  -0.00
    19   1     0.00   0.00   0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    22   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
    26   1     0.43  -0.14  -0.08    -0.01   0.00   0.00     0.29  -0.09  -0.06
    27   1    -0.05   0.07   0.38     0.00  -0.00  -0.02    -0.03   0.04   0.25
    28   1     0.01  -0.00  -0.00    -0.10   0.01   0.02    -0.29   0.02   0.05
    29   1    -0.00  -0.00   0.01     0.02   0.01  -0.10     0.04   0.03  -0.24
    30   1     0.17   0.16   0.04    -0.05  -0.04  -0.01    -0.22  -0.20  -0.06
    31   1    -0.04  -0.00  -0.21     0.01   0.00   0.04     0.05   0.01   0.24
    32   1     0.14   0.20   0.05    -0.25  -0.36  -0.08     0.18   0.26   0.06
    33   1     0.00  -0.05  -0.22    -0.00   0.08   0.37     0.00  -0.06  -0.26
    34   1    -0.01   0.05  -0.01    -0.12   0.54  -0.10    -0.07   0.30  -0.06
    35   1    -0.00  -0.01   0.04    -0.04  -0.09   0.46    -0.02  -0.05   0.25
    36   1    -0.20   0.43  -0.09    -0.09   0.20  -0.04     0.14  -0.30   0.06
    37   1     0.08  -0.04   0.41     0.04  -0.02   0.18    -0.05   0.03  -0.27
                    100                    101                    102
                      A                      A                      A
 Frequencies --   3480.5121              3480.6768              3481.2609
 Red. masses --      1.0928                 1.0928                 1.0928
 Frc consts  --      7.8000                 7.8001                 7.8028
 IR Inten    --      5.8664                11.4175                17.3769
 RamAct Fr= 1--      4.5574                 2.1416                11.3379
  Dep-P Fr= 1--      0.7492                 0.7497                 0.7481
  Dep-U Fr= 1--      0.8566                 0.8570                 0.8559
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0004
 Beta2  Fr= 1--      0.6507                 0.3059                 1.6174
 AlphaG Fr= 1--     -0.0004                -0.0000                -0.0022
 Gamma2 Fr= 1--     -9.9629                -6.0101                -2.4612
 Delta2 Fr= 1--      0.2395                -0.6654                12.4226
 Raman1 Fr= 1--      18.230                  8.566                 45.352
 ROA1   Fr= 1--    -948.770               -598.268                161.246
 CID1   Fr= 1--     -52.045                -69.839                  3.555
 Raman2 Fr= 1--       7.808                  3.671                 19.409
 ROA2   Fr= 1--    -241.025               -138.920               -158.451
 CID2   Fr= 1--     -30.868                -37.848                 -8.164
 Raman3 Fr= 1--      15.616                  7.341                 38.818
 ROA3   Fr= 1--    -948.770               -598.268                161.246
 CID3   Fr= 1--     -60.755                -81.497                  4.154
 RC180  Fr= 1--       0.713                  0.714                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   7     0.03   0.00  -0.04    -0.02  -0.00   0.02    -0.03  -0.00   0.03
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7    -0.02   0.01   0.02    -0.02   0.01   0.03    -0.01   0.01   0.02
     6   7     0.00  -0.01   0.01    -0.00   0.02  -0.03     0.00  -0.02   0.02
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   7     0.01  -0.02   0.03     0.01  -0.01   0.02    -0.01   0.02  -0.02
    10   7     0.00   0.00   0.01    -0.01  -0.03  -0.03     0.00   0.00   0.00
    11   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   7    -0.02  -0.02  -0.03     0.00   0.00   0.00    -0.03  -0.02  -0.04
    14   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00     0.00  -0.01   0.00
    16   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   1    -0.00  -0.00  -0.00     0.01   0.01   0.01     0.00   0.00   0.00
    20   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    21   1     0.01   0.01   0.01    -0.00  -0.00  -0.00     0.01   0.01   0.01
    22   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23   1    -0.01   0.00   0.01     0.01  -0.00  -0.00     0.01  -0.00  -0.01
    24   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    25   1     0.01  -0.00  -0.00     0.01  -0.00  -0.01     0.01  -0.00  -0.00
    26   1     0.23  -0.07  -0.03     0.31  -0.10  -0.05     0.19  -0.06  -0.03
    27   1     0.02  -0.04  -0.28     0.03  -0.06  -0.38     0.02  -0.03  -0.22
    28   1    -0.40   0.03   0.06     0.20  -0.02  -0.03     0.32  -0.03  -0.05
    29   1    -0.06  -0.05   0.45     0.03   0.03  -0.23     0.05   0.04  -0.36
    30   1     0.25   0.23   0.05    -0.02  -0.02  -0.00     0.31   0.28   0.06
    31   1     0.07  -0.00   0.39    -0.01   0.00  -0.03     0.08  -0.00   0.47
    32   1    -0.03  -0.05  -0.01     0.21   0.30   0.05    -0.01  -0.01  -0.00
    33   1     0.00  -0.01  -0.07    -0.01   0.07   0.42     0.00  -0.00  -0.01
    34   1    -0.02   0.08  -0.01     0.06  -0.29   0.04    -0.04   0.18  -0.03
    35   1     0.01   0.01  -0.10    -0.03  -0.05   0.34     0.02   0.03  -0.22
    36   1    -0.12   0.26  -0.04    -0.09   0.19  -0.03     0.12  -0.25   0.04
    37   1    -0.05   0.02  -0.32    -0.04   0.01  -0.24     0.05  -0.02   0.30
                    103                    104                    105
                      A                      A                      A
 Frequencies --   3481.4209              3482.6859              3483.3025
 Red. masses --      1.0927                 1.0926                 1.0920
 Frc consts  --      7.8030                 7.8077                 7.8068
 IR Inten    --     22.6433               144.8284                 0.2839
 RamAct Fr= 1--      8.9608                 0.2404               133.0541
  Dep-P Fr= 1--      0.7496                 0.6130                 0.6930
  Dep-U Fr= 1--      0.8569                 0.7601                 0.8186
 Alpha2 Fr= 1--      0.0001                 0.0006                 0.1328
 Beta2  Fr= 1--      1.2797                 0.0304                18.1541
 AlphaG Fr= 1--     -0.0008                -0.0017                -0.7127
 Gamma2 Fr= 1--      1.2609                 0.0615                29.6347
 Delta2 Fr= 1--     11.5846                -0.0283               -28.6126
 Raman1 Fr= 1--      35.843                  0.961                532.216
 ROA1   Fr= 1--     491.755                  5.002               1929.332
 CID1   Fr= 1--      13.720                  5.202                  3.625
 Raman2 Fr= 1--      15.357                  0.365                217.849
 ROA2   Fr= 1--     -62.416                  1.703                940.135
 CID2   Fr= 1--      -4.064                  4.662                  4.316
 Raman3 Fr= 1--      30.713                  0.731                435.698
 ROA3   Fr= 1--     491.755                  5.002               1929.332
 CID3   Fr= 1--      16.011                  6.845                  4.428
 RC180  Fr= 1--       0.714                  0.520                  0.637
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   7    -0.01  -0.00   0.01     0.02   0.00  -0.02     0.02   0.00  -0.02
     4  45    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7     0.02  -0.01  -0.03     0.02  -0.01  -0.02    -0.02   0.01   0.02
     6   7     0.00  -0.03   0.03    -0.00   0.02  -0.03     0.00  -0.02   0.03
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   7     0.01  -0.02   0.02    -0.01   0.02  -0.03    -0.01   0.02  -0.03
    10   7    -0.01  -0.03  -0.03    -0.01  -0.02  -0.03    -0.01  -0.02  -0.03
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.01    -0.02  -0.01  -0.03     0.02   0.01   0.02
    14   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1    -0.00   0.01  -0.01     0.00  -0.01   0.01    -0.00   0.01  -0.00
    18   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1     0.01   0.01   0.01     0.01   0.00   0.00     0.01   0.01   0.00
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    21   1     0.00   0.00   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    22   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.01   0.00   0.00
    24   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1    -0.01   0.00   0.00    -0.01   0.00   0.00     0.01  -0.00  -0.00
    26   1    -0.30   0.10   0.04    -0.22   0.07   0.03     0.22  -0.07  -0.03
    27   1    -0.03   0.05   0.36    -0.02   0.05   0.29     0.02  -0.04  -0.28
    28   1     0.10  -0.01  -0.01    -0.22   0.02   0.03    -0.23   0.02   0.03
    29   1     0.01   0.01  -0.11    -0.04  -0.03   0.26    -0.04  -0.03   0.28
    30   1     0.07   0.07   0.01     0.19   0.17   0.03    -0.17  -0.15  -0.03
    31   1     0.02  -0.00   0.11     0.05  -0.00   0.31    -0.05   0.00  -0.28
    32   1     0.20   0.29   0.05     0.15   0.21   0.04     0.16   0.23   0.04
    33   1    -0.01   0.07   0.40    -0.01   0.05   0.31    -0.01   0.06   0.34
    34   1    -0.07   0.33  -0.05     0.06  -0.29   0.04    -0.06   0.26  -0.04
    35   1     0.04   0.06  -0.38    -0.03  -0.05   0.37     0.03   0.05  -0.33
    36   1    -0.11   0.24  -0.04     0.11  -0.24   0.04     0.12  -0.25   0.04
    37   1    -0.05   0.02  -0.30     0.05  -0.02   0.31     0.05  -0.02   0.34

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number 45 and mass 102.90480
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  7 and mass  14.00307
 Atom    10 has atomic number  7 and mass  14.00307
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  7 and mass  14.00307
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Molecular mass:   283.11104 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2615.131202615.504363783.53931
           X            0.99999   0.00483  -0.00000
           Y           -0.00483   0.99999  -0.00000
           Z            0.00000   0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.03312     0.03312     0.02289
 Rotational constants (GHZ):           0.69011     0.69002     0.47700
 Zero-point vibrational energy     925907.1 (Joules/Mol)
                                  221.29712 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    114.10   118.20   128.94   209.26   210.18
          (Kelvin)            240.74   313.12   316.45   324.91   362.40
                              416.54   417.44   448.76   477.78   478.85
                              578.84   579.97   580.63   664.81   665.82
                              727.66   752.77   803.41   804.57   972.86
                              973.22  1027.22  1079.69  1079.91  1097.59
                             1245.36  1245.43  1248.00  1252.85  1255.61
                             1255.78  1413.26  1414.68  1414.99  1434.21
                             1434.86  1452.72  1507.14  1507.27  1511.86
                             1594.83  1608.13  1609.00  1685.92  1686.46
                             1716.53  1763.58  1764.16  1794.26  1857.63
                             1857.67  1864.70  1916.23  1916.56  1930.01
                             1936.97  1940.13  1940.20  2020.80  2022.24
                             2022.50  2076.36  2076.80  2081.31  2162.01
                             2162.37  2162.52  2162.94  2163.31  2163.86
                             2365.02  2384.34  2385.20  2387.58  2399.19
                             2400.00  4418.49  4418.67  4419.34  4425.72
                             4425.95  4426.36  4484.18  4484.30  4484.63
                             4499.43  4499.56  4499.95  4937.76  4937.92
                             4939.60  4939.82  4939.96  4942.61  5007.68
                             5007.92  5008.76  5008.99  5010.81  5011.70
 
 Zero-point correction=                           0.352659 (Hartree/Particle)
 Thermal correction to Energy=                    0.367690
 Thermal correction to Enthalpy=                  0.368634
 Thermal correction to Gibbs Free Energy=         0.312034
 Sum of electronic and zero-point Energies=           -681.282277
 Sum of electronic and thermal Energies=              -681.267247
 Sum of electronic and thermal Enthalpies=            -681.266303
 Sum of electronic and thermal Free Energies=         -681.322903
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  230.729             60.543            119.125
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.820
 Rotational               0.889              2.981             31.626
 Vibrational            228.951             54.582             44.679
 Vibration     1          0.600              1.963              3.908
 Vibration     2          0.600              1.961              3.839
 Vibration     3          0.602              1.957              3.668
 Vibration     4          0.617              1.908              2.731
 Vibration     5          0.617              1.907              2.723
 Vibration     6          0.624              1.883              2.465
 Vibration     7          0.646              1.814              1.979
 Vibration     8          0.647              1.811              1.960
 Vibration     9          0.650              1.802              1.912
 Vibration    10          0.664              1.760              1.717
 Vibration    11          0.686              1.693              1.477
 Vibration    12          0.686              1.692              1.473
 Vibration    13          0.700              1.651              1.352
 Vibration    14          0.714              1.611              1.250
 Vibration    15          0.715              1.610              1.246
 Vibration    16          0.768              1.465              0.954
 Vibration    17          0.768              1.463              0.951
 Vibration    18          0.769              1.462              0.950
 Vibration    19          0.820              1.334              0.760
 Vibration    20          0.820              1.333              0.758
 Vibration    21          0.861              1.237              0.644
 Vibration    22          0.878              1.199              0.603
 Vibration    23          0.914              1.121              0.527
 Vibration    24          0.915              1.120              0.525
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.298277-143       -143.525381       -330.479402
 Total V=0       0.485893D+19         18.686540         43.027349
 Vib (Bot)       0.874804-158       -158.058089       -363.942200
 Vib (Bot)    1  0.259709D+01          0.414487          0.954391
 Vib (Bot)    2  0.250608D+01          0.398995          0.918721
 Vib (Bot)    3  0.229433D+01          0.360656          0.830441
 Vib (Bot)    4  0.139595D+01          0.144871          0.333577
 Vib (Bot)    5  0.138956D+01          0.142877          0.328988
 Vib (Bot)    6  0.120546D+01          0.081151          0.186857
 Vib (Bot)    7  0.909797D+00         -0.041056         -0.094534
 Vib (Bot)    8  0.899361D+00         -0.046066         -0.106071
 Vib (Bot)    9  0.873766D+00         -0.058605         -0.134943
 Vib (Bot)   10  0.774156D+00         -0.111172         -0.255982
 Vib (Bot)   11  0.660713D+00         -0.179987         -0.414435
 Vib (Bot)   12  0.659060D+00         -0.181075         -0.416941
 Vib (Bot)   13  0.605579D+00         -0.217829         -0.501570
 Vib (Bot)   14  0.561943D+00         -0.250308         -0.576356
 Vib (Bot)   15  0.560430D+00         -0.251479         -0.579051
 Vib (Bot)   16  0.442279D+00         -0.354303         -0.815814
 Vib (Bot)   17  0.441159D+00         -0.355405         -0.818349
 Vib (Bot)   18  0.440512D+00         -0.356042         -0.819817
 Vib (Bot)   19  0.367474D+00         -0.434773         -1.001102
 Vib (Bot)   20  0.366702D+00         -0.435687         -1.003207
 Vib (Bot)   21  0.323308D+00         -0.490384         -1.129150
 Vib (Bot)   22  0.307608D+00         -0.512003         -1.178930
 Vib (Bot)   23  0.278770D+00         -0.554754         -1.277369
 Vib (Bot)   24  0.278152D+00         -0.555717         -1.279586
 Vib (V=0)       0.142506D+05          4.153832          9.564552
 Vib (V=0)    1  0.314478D+01          0.497590          1.145744
 Vib (V=0)    2  0.305548D+01          0.485079          1.116935
 Vib (V=0)    3  0.284818D+01          0.454567          1.046680
 Vib (V=0)    4  0.198280D+01          0.297278          0.684508
 Vib (V=0)    5  0.197678D+01          0.295958          0.681469
 Vib (V=0)    6  0.180504D+01          0.256486          0.590581
 Vib (V=0)    7  0.153814D+01          0.186995          0.430572
 Vib (V=0)    8  0.152900D+01          0.184409          0.424617
 Vib (V=0)    9  0.150671D+01          0.178030          0.409929
 Vib (V=0)   10  0.142158D+01          0.152773          0.351772
 Vib (V=0)   11  0.132858D+01          0.123387          0.284109
 Vib (V=0)   12  0.132726D+01          0.122956          0.283117
 Vib (V=0)   13  0.128532D+01          0.109011          0.251007
 Vib (V=0)   14  0.125218D+01          0.097668          0.224889
 Vib (V=0)   15  0.125105D+01          0.097276          0.223986
 Vib (V=0)   16  0.116754D+01          0.067272          0.154900
 Vib (V=0)   17  0.116680D+01          0.066996          0.154264
 Vib (V=0)   18  0.116637D+01          0.066837          0.153898
 Vib (V=0)   19  0.112051D+01          0.049417          0.113787
 Vib (V=0)   20  0.112006D+01          0.049240          0.113379
 Vib (V=0)   21  0.109542D+01          0.039582          0.091140
 Vib (V=0)   22  0.108705D+01          0.036248          0.083463
 Vib (V=0)   23  0.107246D+01          0.030382          0.069957
 Vib (V=0)   24  0.107216D+01          0.030260          0.069677
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.187236D+09          8.272389         19.047880
 Rotational      0.182104D+07          6.260319         14.414918
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000006233    0.000003792    0.000013588
      2        6           0.000003663   -0.000022719    0.000009299
      3        7           0.000016343   -0.000009128    0.000049379
      4       45           0.000039110   -0.000051583   -0.000155007
      5        7           0.000040785   -0.000006110    0.000005553
      6        7           0.000004408    0.000051506    0.000029114
      7        6           0.000003792    0.000000458    0.000019055
      8        6          -0.000007472    0.000016456   -0.000001446
      9        7          -0.000023816    0.000059023    0.000043525
     10        7          -0.000003878   -0.000037462    0.000058952
     11        6          -0.000027452   -0.000006994    0.000040184
     12        6          -0.000019286   -0.000022559    0.000041811
     13        7           0.000004558   -0.000033502   -0.000013665
     14        1          -0.000000986   -0.000000830   -0.000001116
     15        1          -0.000024741    0.000020333   -0.000000892
     16        1           0.000000146   -0.000002592   -0.000000369
     17        1          -0.000018254   -0.000012697   -0.000008347
     18        1           0.000001830    0.000002303    0.000003182
     19        1          -0.000011340   -0.000020433   -0.000006881
     20        1           0.000000357    0.000001881    0.000002761
     21        1           0.000023155    0.000011700    0.000010013
     22        1          -0.000003201    0.000002074   -0.000005230
     23        1          -0.000000702   -0.000007617   -0.000018032
     24        1          -0.000001547   -0.000001040   -0.000004740
     25        1           0.000002588    0.000020177   -0.000002535
     26        1           0.000026413   -0.000010103   -0.000020290
     27        1           0.000002919   -0.000003638   -0.000010193
     28        1          -0.000023652   -0.000015070   -0.000019364
     29        1          -0.000005767    0.000006730   -0.000015040
     30        1          -0.000001896    0.000002553   -0.000010133
     31        1           0.000001823   -0.000023410    0.000004615
     32        1          -0.000015722    0.000029103   -0.000023818
     33        1           0.000003312   -0.000000904    0.000007734
     34        1          -0.000004599   -0.000001203    0.000008627
     35        1          -0.000001175    0.000026598   -0.000005987
     36        1           0.000008166    0.000046545   -0.000024386
     37        1           0.000005884   -0.000011638    0.000000077
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000155007 RMS     0.000024744
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.151756D+03 -0.183030D-02 -0.436249D-02
      2  -0.183030D-02  0.151737D+03 -0.152005D-02
      3  -0.436249D-02 -0.152005D-02  0.126050D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.116152D+01  0.133236D-01 -0.322473D-01
      2  -0.187246D-01 -0.114956D+01  0.185516D-01
      3   0.742621D-01 -0.347493D-01 -0.348312D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.571478D+02  0.854481D+02 -0.302967D-02
      2  -0.571659D+02 -0.854346D+02 -0.880892D-02
      3   0.181099D-01 -0.135387D-01  0.118386D-01
      4   0.854884D+02 -0.572107D+02 -0.219448D-02
      5  -0.110831D-01  0.572226D+01 -0.484786D-02
      6  -0.572015D+01 -0.286754D-01 -0.362528D-02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.266720D+01 -0.102301D+01 -0.255412D+01 -0.118391D+01 -0.289505D+01
      2  -0.102301D+01 -0.482144D+01  0.108338D+01 -0.289505D+01  0.593198D+01
      3  -0.255412D+01  0.108338D+01  0.815875D+00  0.334036D+00 -0.340935D+01
                 6             7             8             9            10 
      1   0.334036D+00 -0.192386D+01  0.552873D+00  0.890503D+00 -0.138716D+01
      2  -0.340935D+01  0.552873D+00 -0.287639D+01  0.822285D+00  0.353025D+01
      3   0.575107D+00  0.890503D+00  0.822285D+00  0.756937D+00  0.318121D+01
                11            12            13            14            15 
      1   0.353025D+01  0.318121D+01  0.263209D+01  0.347638D+01  0.429012D+00
      2   0.519621D+01  0.117844D+01  0.347638D+01  0.900303D+00  0.279156D+01
      3   0.117844D+01 -0.532940D+00  0.429012D+00  0.279156D+01  0.823480D+00
                16            17            18            19            20 
      1   0.247798D+01  0.761614D+00 -0.492484D+00  0.837101D+00 -0.198203D+01
      2   0.761614D+00  0.235980D+01  0.112745D+01 -0.198203D+01 -0.244964D+01
      3  -0.492484D+00  0.112745D+01 -0.725541D+00 -0.175977D+01 -0.707001D+00
                21            22            23            24            25 
      1  -0.175977D+01 -0.327482D+01 -0.484817D+01 -0.185061D+01 -0.217938D+01
      2  -0.707001D+00 -0.484817D+01 -0.501048D+01 -0.417918D+01 -0.119158D+01
      3  -0.105597D+01 -0.185061D+01 -0.417918D+01 -0.178797D+01 -0.137582D+01
                26            27            28            29            30 
      1  -0.119158D+01 -0.137582D+01 -0.916741D+00 -0.146961D+01  0.265260D-01
      2  -0.254877D+01 -0.157318D+01 -0.146961D+01  0.105768D+01 -0.179005D+01
      3  -0.157318D+01  0.156834D+01  0.265260D-01 -0.179005D+01  0.377770D-01
                31            32            33            34            35 
      1  -0.150200D+01  0.103569D+01  0.179260D+01  0.942602D-01 -0.235205D-01
      2   0.103569D+01  0.142881D+01  0.342377D-01 -0.235205D-01  0.115297D+00
      3   0.179260D+01  0.342377D-01 -0.217443D-01  0.212772D-01 -0.313522D-01
                36            37            38            39            40 
      1   0.212772D-01 -0.168860D+01  0.897233D+00  0.117905D+01  0.614835D+00
      2  -0.313522D-01  0.897233D+00 -0.117736D+00  0.577497D+00  0.266791D+01
      3   0.567737D-01  0.117905D+01  0.577497D+00  0.249247D+00 -0.602918D+00
                41            42            43            44            45 
      1   0.266791D+01 -0.602918D+00  0.137207D+01 -0.675537D+00  0.648290D+00
      2  -0.875863D+01  0.468458D+01 -0.675537D+00  0.326846D+01 -0.192660D+01
      3   0.468458D+01 -0.201948D+01  0.648290D+00 -0.192660D+01 -0.161292D+01
                46            47            48            49            50 
      1   0.342667D+01  0.454455D+01  0.381090D+01  0.234140D+01  0.291352D+01
      2   0.454455D+01  0.454008D+01  0.211053D+01  0.291352D+01  0.246615D+00
      3   0.381090D+01  0.211053D+01  0.161798D+01  0.950534D+00  0.208343D+01
                51            52            53            54            55 
      1   0.950534D+00  0.218570D+01  0.118665D+01  0.137037D+01  0.555720D+00
      2   0.208343D+01  0.118665D+01  0.245636D+01  0.155969D+01 -0.254721D+01
      3   0.125030D+01  0.137037D+01  0.155969D+01 -0.158717D+01 -0.259262D+01
                56            57            58            59            60 
      1  -0.254721D+01 -0.259262D+01 -0.421342D+01 -0.463801D+01 -0.109809D+01
      2  -0.351558D+01 -0.339970D+00 -0.463801D+01 -0.101003D+00 -0.337214D+01
      3  -0.339970D+00 -0.860172D+00 -0.109809D+01 -0.337214D+01  0.426104D+00
                61            62            63            64            65 
      1  -0.217069D+01 -0.708850D+00 -0.116253D+01 -0.708621D+01  0.160396D+01
      2  -0.708850D+00 -0.266639D+01  0.357796D+00  0.160396D+01  0.207724D+01
      3  -0.116253D+01  0.357796D+00  0.735027D+00  0.357843D+01 -0.202866D+00
                66            67            68            69            70 
      1   0.357843D+01  0.354500D+01  0.218999D+01 -0.955654D+00  0.305124D+01
      2  -0.202866D+00  0.218999D+01 -0.201972D+01  0.237349D+01 -0.404433D+00
      3  -0.478382D+00 -0.955654D+00  0.237349D+01 -0.877597D+00 -0.713040D+00
                71            72            73            74            75 
      1  -0.404433D+00 -0.713040D+00  0.924731D+01 -0.123306D+01 -0.467191D+01
      2   0.180698D+01 -0.988278D+00 -0.123306D+01 -0.130612D+01  0.146122D+00
      3  -0.988278D+00 -0.746756D+00 -0.467191D+01  0.146122D+00  0.206289D+01
                76            77            78            79            80 
      1   0.148842D+01 -0.124224D+01 -0.987396D+00 -0.347784D+01  0.405272D+00
      2  -0.124224D+01  0.125167D+01 -0.123976D+01  0.405272D+00 -0.125630D+01
      3  -0.987396D+00 -0.123976D+01 -0.140863D-01  0.201914D+01 -0.407245D+00
                81            82            83            84            85 
      1   0.201914D+01 -0.350202D+00  0.155714D+01 -0.247831D+01  0.146410D+00
      2  -0.407245D+00  0.155714D+01 -0.603647D+01  0.226809D+01 -0.370191D+01
      3   0.158029D+01 -0.247831D+01  0.226809D+01 -0.101903D+01  0.112698D+01
                86            87            88            89            90 
      1  -0.370191D+01  0.112698D+01 -0.143743D+01  0.752145D+00 -0.673445D+00
      2   0.544651D+01 -0.346131D+01  0.752145D+00 -0.330212D+01  0.196306D+01
      3  -0.346131D+01  0.179635D+01 -0.673445D+00  0.196306D+01  0.157625D+01
                91            92            93            94            95 
      1  -0.175411D+01  0.146264D+01  0.218443D+01  0.392152D+00  0.452358D+01
      2   0.146264D+01  0.284488D+01  0.157668D+00  0.452358D+01 -0.551636D+01
      3   0.218443D+01  0.157668D+00  0.985490D+00 -0.614339D+00  0.379797D+01
                96            97            98            99           100 
      1  -0.614339D+00  0.170187D+01 -0.318339D+00  0.121016D+01  0.683859D+01
      2   0.379797D+01 -0.318339D+00  0.307321D+01 -0.125599D+00 -0.331598D+01
      3   0.397171D-01  0.121016D+01 -0.125599D+00 -0.788447D+00 -0.379558D+01
               101           102           103           104           105 
      1  -0.331598D+01 -0.379558D+01 -0.156074D+01 -0.244038D+01 -0.360228D+00
      2  -0.157554D+01  0.381671D+00 -0.244038D+01  0.102102D+01 -0.215247D+01
      3   0.381671D+00  0.788682D-01 -0.360228D+00 -0.215247D+01 -0.984412D+00
               106           107           108           109           110 
      1  -0.312635D+01  0.130491D+00  0.265376D+00 -0.702222D+01  0.293811D+01
      2   0.130491D+00 -0.165654D+01 -0.118157D+01  0.293811D+01  0.718838D+00
      3   0.265376D+00 -0.118157D+01  0.799546D+00  0.385921D+01 -0.934924D+00
               111           112           113           114           115 
      1   0.385921D+01  0.542428D+01 -0.353690D+00 -0.207976D+01  0.338090D+01
      2  -0.934924D+00 -0.353690D+00  0.154451D+00  0.203742D+01 -0.459852D+00
      3  -0.190147D+01 -0.207976D+01  0.203742D+01  0.784434D+00 -0.200211D+01
               116           117           118           119           120 
      1  -0.459852D+00 -0.200211D+01  0.110254D+02  0.105045D+00 -0.297523D+01
      2   0.122879D+01  0.410269D+00  0.105045D+00  0.100293D+01  0.242158D-01
      3   0.410269D+00 -0.162156D+01 -0.297523D+01  0.242158D-01  0.204997D+01
               121           122           123           124           125 
      1  -0.216461D+01  0.111783D+01  0.818267D+00 -0.299742D+01  0.397225D-02
      2   0.111783D+01  0.103752D+00 -0.729979D+00  0.397225D-02 -0.486735D+00
      3   0.818267D+00 -0.729979D+00 -0.260536D+00  0.244598D+01  0.169854D+00
               126           127           128           129           130 
      1   0.244598D+01  0.121193D+00  0.621201D+00 -0.872825D+00  0.114076D+01
      2   0.169854D+00  0.621201D+00 -0.673097D+00  0.233800D+00  0.465086D+00
      3  -0.146450D+01 -0.872825D+00  0.233800D+00 -0.358243D+00 -0.185494D+00
               131           132           133           134           135 
      1   0.465086D+00 -0.185494D+00 -0.132728D+01 -0.358071D+00  0.398280D+00
      2   0.463714D+01 -0.216953D+01 -0.358071D+00 -0.179994D+01  0.167974D+01
      3  -0.216953D+01  0.227514D+01  0.398280D+00  0.167974D+01 -0.215539D+01
               136           137           138           139           140 
      1   0.567209D+01  0.295896D+01  0.172708D+01  0.474349D+01  0.403630D+01
      2   0.295896D+01  0.253522D+01  0.785225D+00  0.403630D+01  0.425519D+01
      3   0.172708D+01  0.785225D+00  0.145538D+01  0.159160D+01  0.197222D+01
               141           142           143           144           145 
      1   0.159160D+01  0.208631D+01  0.122615D+01  0.204995D+01  0.206694D+01
      2   0.197222D+01  0.122615D+01  0.143531D+01  0.135998D+01 -0.916613D+00
      3   0.145051D+01  0.204995D+01  0.135998D+01  0.148956D+01  0.133867D+01
               146           147           148           149           150 
      1  -0.916613D+00  0.133867D+01 -0.202790D+01  0.157961D+01 -0.821881D+00
      2   0.984677D+00 -0.403636D+00  0.157961D+01 -0.288463D+01  0.171411D+01
      3  -0.403636D+00  0.109707D+01 -0.821881D+00  0.171411D+01 -0.202059D+01
               151           152           153           154           155 
      1   0.187439D+01 -0.322498D+00  0.133928D+01 -0.218179D+01  0.180586D+01
      2  -0.322498D+00  0.128239D+01 -0.109464D+01  0.180586D+01 -0.194794D+01
      3   0.133928D+01 -0.109464D+01  0.216125D+01 -0.921423D+00  0.346575D+00
               156           157           158           159           160 
      1  -0.921423D+00  0.288346D+01 -0.403292D+01  0.116334D+01 -0.111373D+01
      2   0.346575D+00 -0.403292D+01  0.859712D+01 -0.278630D+01  0.108470D+01
      3  -0.786660D+00  0.116334D+01 -0.278630D+01  0.190852D+01 -0.136771D+01
               161           162           163           164           165 
      1   0.108470D+01 -0.136771D+01 -0.363175D+01 -0.787417D+00 -0.181915D+01
      2  -0.237386D+01  0.203339D+01 -0.787417D+00 -0.108602D+01 -0.368060D+00
      3   0.203339D+01 -0.146466D+01 -0.181915D+01 -0.368060D+00 -0.180909D+01
               166           167           168           169           170 
      1  -0.205011D+01 -0.121403D+01 -0.787421D+00 -0.197169D+01 -0.234416D-01
      2  -0.121403D+01 -0.133466D+01 -0.122563D+01 -0.234416D-01 -0.112742D+01
      3  -0.787421D+00 -0.122563D+01 -0.146470D+01 -0.165295D+01 -0.491269D+00
               171           172           173           174           175 
      1  -0.165295D+01 -0.977219D+01  0.335301D+01  0.294346D+01  0.120516D+01
      2  -0.491269D+00  0.335301D+01 -0.214069D+01 -0.892906D+00 -0.137238D+01
      3  -0.212407D+01  0.294346D+01 -0.892906D+00 -0.199441D+01 -0.905015D-01
               176           177           178           179           180 
      1  -0.137238D+01 -0.905015D-01  0.262616D+01 -0.876743D+00 -0.219240D+01
      2   0.149964D+01  0.756492D+00 -0.876743D+00  0.846457D+00  0.109247D+01
      3   0.756492D+00  0.540998D+00 -0.219240D+01  0.109247D+01  0.145821D+01
               181           182           183           184           185 
      1   0.885321D+00  0.102181D+01  0.107790D+01  0.107055D+01  0.557199D+00
      2   0.102181D+01  0.181710D+01  0.690578D+00  0.557199D+00  0.408486D+01
      3   0.107790D+01  0.690578D+00  0.121515D+01  0.268350D+00  0.196224D+01
               186           187           188           189           190 
      1   0.268350D+00  0.114239D+01 -0.946376D-01  0.273461D+00 -0.294852D+01
      2   0.196224D+01 -0.946376D-01  0.198093D+01  0.170018D+01 -0.348177D+01
      3   0.197470D+01  0.273461D+00  0.170018D+01  0.213035D+01 -0.166094D+01
               191           192           193           194           195 
      1  -0.348177D+01 -0.166094D+01 -0.223491D+01 -0.293587D+01 -0.776575D+00
      2  -0.487439D+01 -0.158449D+01 -0.293587D+01 -0.710638D+01 -0.204462D+01
      3  -0.158449D+01 -0.124806D+01 -0.776575D+00 -0.204462D+01 -0.163194D+01
               196           197           198           199           200 
      1  -0.113605D+01 -0.110866D+01 -0.108733D+01  0.341406D+01 -0.153339D+01
      2  -0.110866D+01 -0.240619D+01 -0.221322D+01 -0.153339D+01  0.186293D+01
      3  -0.108733D+01 -0.221322D+01 -0.149654D+01 -0.186568D+01  0.758577D+00
               201           202           203           204           205 
      1  -0.186568D+01 -0.791696D+00  0.846011D+00  0.337703D+00 -0.136547D+01
      2   0.758577D+00  0.846011D+00 -0.160463D+01 -0.116891D+01  0.384088D+00
      3   0.214882D+01  0.337703D+00 -0.116891D+01 -0.830607D+00  0.125267D+01
               206           207           208           209           210 
      1   0.384088D+00  0.125267D+01  0.372300D+00 -0.151765D+01  0.882886D+00
      2  -0.174539D+01 -0.119024D+01 -0.151765D+01  0.326878D+01 -0.110200D+01
      3  -0.119024D+01 -0.215390D+01  0.882886D+00 -0.110200D+01  0.527354D+00
               211           212           213           214           215 
      1  -0.110364D+01  0.100317D+01 -0.298333D+00  0.530656D+00 -0.325292D+00
      2   0.100317D+01 -0.105590D+02  0.282505D+01 -0.325292D+00  0.294553D+01
      3  -0.298333D+00  0.282505D+01 -0.199881D+01  0.150853D+00 -0.244435D+01
               216           217           218           219           220 
      1   0.150853D+00 -0.452349D+01 -0.830554D+00  0.215387D+01  0.237352D+00
      2  -0.244435D+01 -0.830554D+00 -0.126679D+01  0.350662D+00 -0.606223D+00
      3   0.146161D+01  0.215387D+01  0.350662D+00 -0.230340D+01 -0.690391D-01
               221           222           223           224           225 
      1  -0.606223D+00 -0.690391D-01  0.169951D+01  0.408486D+00 -0.161302D+01
      2  -0.442353D+00  0.887624D+00  0.408486D+00  0.142987D+01 -0.614591D+00
      3   0.887624D+00  0.605808D-01 -0.161302D+01 -0.614591D+00  0.215368D+01
               226           227           228           229           230 
      1   0.509827D+01 -0.165874D+01  0.759473D+00 -0.183161D+01  0.950695D+00
      2  -0.165874D+01  0.311728D+01 -0.114791D+01  0.950695D+00 -0.412438D+00
      3   0.759473D+00 -0.114791D+01  0.127925D+01 -0.159657D+00 -0.568743D+00
               231           232           233           234           235 
      1  -0.159657D+00  0.344525D-02  0.102213D+00  0.560887D+00  0.602199D+00
      2  -0.568743D+00  0.102213D+00 -0.184169D+01  0.451731D+00 -0.362163D+00
      3  -0.940939D-01  0.560887D+00  0.451731D+00  0.213726D+00  0.682121D+00
               236           237           238           239           240 
      1  -0.362163D+00  0.682121D+00 -0.435756D+00 -0.429129D+00  0.225728D+00
      2  -0.923801D+00  0.291346D+00 -0.429129D+00  0.133822D+01 -0.152397D+00
      3   0.291346D+00 -0.185382D+00  0.225728D+00 -0.152397D+00  0.676991D+00
               241           242           243           244           245 
      1   0.975095D+00 -0.583277D-01  0.941532D+00 -0.640147D+01 -0.499100D+00
      2  -0.583277D-01  0.191556D+01 -0.106433D+01 -0.499100D+00 -0.204395D+01
      3   0.941532D+00 -0.106433D+01  0.701721D+01 -0.102323D+01 -0.488240D+00
               246           247           248           249           250 
      1  -0.102323D+01  0.158773D+00  0.256299D-01  0.501475D+00  0.331456D+00
      2  -0.488240D+00  0.256299D-01  0.890407D+00  0.833248D+00  0.721992D+00
      3  -0.121754D+01  0.501475D+00  0.833248D+00  0.402242D+00 -0.347924D+00
               251           252           253           254           255 
      1   0.721992D+00 -0.347924D+00 -0.533863D+00  0.620648D+00 -0.373512D+00
      2   0.149027D+01  0.628911D+00  0.620648D+00  0.117400D+01  0.511216D+00
      3   0.628911D+00 -0.211952D+00 -0.373512D+00  0.511216D+00  0.430997D+00
               256           257           258           259           260 
      1   0.365007D+00  0.755724D+00  0.447598D+00 -0.115500D+01 -0.372298D+00
      2   0.755724D+00  0.348969D+00 -0.149322D+00 -0.372298D+00 -0.173609D+01
      3   0.447598D+00 -0.149322D+00  0.554549D+00 -0.127863D+01 -0.620579D+00
               261           262           263           264           265 
      1  -0.127863D+01 -0.391553D+01 -0.178045D+01  0.337909D+00 -0.356239D+01
      2  -0.620579D+00 -0.178045D+01 -0.214388D+01  0.404337D+00 -0.924168D+00
      3  -0.701642D+01  0.337909D+00  0.404337D+00 -0.723324D+00  0.139190D+01
               266           267           268           269           270 
      1  -0.924168D+00  0.139190D+01 -0.145976D+01  0.744861D+00  0.105835D+00
      2  -0.241204D+01 -0.132000D+00  0.744861D+00 -0.366339D+00 -0.710025D+00
      3  -0.132000D+00 -0.105867D+01  0.105835D+00 -0.710025D+00  0.221023D+00
               271           272           273           274           275 
      1   0.121534D+01 -0.894997D+00 -0.170135D+00 -0.435250D+00 -0.456979D+00
      2  -0.894997D+00 -0.274660D+00  0.265477D+00 -0.456979D+00  0.265860D+00
      3  -0.170135D+00  0.265477D+00  0.680879D+00  0.197897D+00  0.699543D+00
               276           277           278           279           280 
      1   0.197897D+00  0.172995D+01 -0.377576D+00 -0.139082D+01  0.194844D+01
      2   0.699543D+00 -0.377576D+00  0.115936D+01 -0.280493D+00  0.534012D+00
      3  -0.173143D+00 -0.139082D+01 -0.280493D+00  0.701892D+01  0.364648D+00
               281           282           283           284           285 
      1   0.534012D+00  0.364648D+00  0.198787D+01  0.158396D+01 -0.313874D+00
      2   0.320522D+01 -0.129908D+01  0.158396D+01  0.478684D+01 -0.548813D+00
      3  -0.129908D+01  0.953619D+00 -0.313874D+00 -0.548813D+00  0.850685D+00
               286           287           288           289           290 
      1   0.585468D+00 -0.855114D+00  0.717659D+00 -0.366783D+00  0.208838D+00
      2  -0.855114D+00  0.126434D+01 -0.150551D-01  0.208838D+00  0.665165D+00
      3   0.717659D+00 -0.150551D-01 -0.212687D+00 -0.622866D+00 -0.306079D+00
               291           292           293           294           295 
      1  -0.622866D+00 -0.279643D-01  0.109328D+01 -0.370010D+00 -0.126912D+01
      2  -0.306079D+00  0.109328D+01 -0.876441D+00  0.949380D-01  0.437907D+00
      3   0.268321D+00 -0.370010D+00  0.949380D-01 -0.644977D+00  0.105569D+00
               296           297           298           299           300 
      1   0.437907D+00  0.105569D+00 -0.113588D+01 -0.105943D+00 -0.793141D+00
      2  -0.162631D+01  0.142284D+01 -0.105943D+00 -0.101736D+01 -0.741563D+00
      3   0.142284D+01 -0.701780D+01 -0.793141D+00 -0.741563D+00 -0.554749D+00
               301           302           303           304           305 
      1   0.185992D+01 -0.948476D-01  0.246277D+00 -0.128289D+01 -0.852315D+00
      2  -0.948476D-01  0.637808D+01  0.996403D+00 -0.852315D+00 -0.532200D+00
      3   0.246277D+00  0.996403D+00  0.115505D+01 -0.670259D+00  0.258519D+00
               306           307           308           309           310 
      1  -0.670259D+00 -0.201981D-01 -0.610354D+00  0.278506D+00 -0.995827D+00
      2   0.258519D+00 -0.610354D+00 -0.596877D+00 -0.456540D+00 -0.905638D+00
      3   0.217146D+00  0.278506D+00 -0.456540D+00 -0.491721D+00 -0.522527D+00
               311           312           313           314           315 
      1  -0.905638D+00 -0.522527D+00  0.162970D+01  0.435412D+00  0.449489D+00
      2   0.268091D+00  0.247937D+00  0.435412D+00  0.126077D+01  0.134163D+01
      3   0.247937D+00 -0.504780D+00  0.449489D+00  0.134163D+01  0.701644D+01
               316           317           318           319           320 
      1   0.115463D+01 -0.132979D+01  0.375153D+00 -0.345222D+01  0.170115D+01
      2  -0.132979D+01  0.216536D+01  0.308951D+00  0.170115D+01 -0.438365D+01
      3   0.375153D+00  0.308951D+00  0.262408D+00  0.129505D+01 -0.567308D+00
               321           322           323           324           325 
      1   0.129505D+01  0.182971D+01  0.134304D+00 -0.372831D+00 -0.151205D+01
      2  -0.567308D+00  0.134304D+00  0.651460D-02 -0.612775D+00  0.116584D+00
      3  -0.125355D+01 -0.372831D+00 -0.612775D+00 -0.213801D+00  0.209001D+00
               326           327           328           329           330 
      1   0.116584D+00  0.209001D+00  0.611807D+00  0.568912D+00 -0.174045D+00
      2   0.578386D+00 -0.109053D+00  0.568912D+00 -0.413165D+00 -0.734707D+00
      3  -0.109053D+00 -0.696809D+00 -0.174045D+00 -0.734707D+00  0.962023D-01
               331           332           333 
      1  -0.191430D+01 -0.660420D-01  0.117675D+01
      2  -0.660420D-01 -0.977518D+00 -0.794403D+00
      3   0.117675D+01 -0.794403D+00 -0.701818D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.106233D+02 -0.673148D+01  0.533638D+01 -0.538941D+01 -0.210050D+01
      2   0.501846D+00  0.283118D+01  0.314365D+01  0.167924D+01  0.258081D+01
      3  -0.854170D+01  0.282097D+01  0.866343D+01  0.600607D+01  0.909986D+01
                 6             7             8             9            10 
      1  -0.820571D+01  0.210534D+00 -0.284181D+01  0.168326D+01  0.435019D+01
      2   0.766479D+00  0.372046D+00  0.878409D-02 -0.102943D+01 -0.270692D+01
      3   0.113732D+01  0.943221D+01  0.230699D+01 -0.361687D+01  0.914327D+01
                11            12            13            14            15 
      1  -0.797476D+01 -0.650973D+01 -0.626317D+01  0.850465D+01 -0.599895D+01
      2   0.171433D+01  0.549587D+01  0.228057D+01  0.633516D+00  0.388191D+00
      3  -0.461194D+01 -0.753110D+01 -0.147081D+01 -0.960044D+01  0.441871D+01
                16            17            18            19            20 
      1  -0.106540D+01 -0.229827D+01 -0.186559D+01 -0.247745D+00 -0.104842D+01
      2   0.789719D+00  0.818546D+00 -0.373305D+00  0.195795D+02  0.141259D+02
      3  -0.783224D+01  0.567712D+01  0.360007D+01 -0.207845D+02 -0.182033D+02
                21            22            23            24            25 
      1   0.272560D+01 -0.343197D+01 -0.177991D+02  0.257049D+00  0.112855D+02
      2   0.907891D+01  0.427380D+01 -0.129102D+01 -0.393154D+01 -0.109195D+02
      3  -0.865644D+01  0.301294D+01  0.172625D+02  0.426712D+01 -0.216040D+01
                26            27            28            29            30 
      1   0.194334D+02  0.178121D+02  0.214179D+01  0.282291D+01  0.143252D+00
      2  -0.133607D+02 -0.172838D+02  0.272233D+01 -0.211354D+01 -0.635893D+01
      3   0.303332D+01  0.465125D+00  0.199215D-01  0.863006D+01 -0.568847D-01
                31            32            33            34            35 
      1   0.294912D+01 -0.182050D+01  0.643916D+01  0.284437D+00 -0.763237D+01
      2  -0.223389D+01 -0.306718D+01  0.777138D-01  0.781556D+01  0.434736D-01
      3  -0.861801D+01 -0.113797D+00  0.160300D+00  0.221950D+00  0.406873D+00
                36            37            38            39            40 
      1  -0.667028D-01  0.487143D+01 -0.174645D+01  0.149001D+01 -0.159176D+00
      2  -0.500154D+00  0.882232D+01 -0.197419D+02  0.101635D+02 -0.961962D+01
      3  -0.150298D+00  0.993021D+01 -0.296797D+02  0.982813D+01 -0.837098D+01
                41            42            43            44            45 
      1   0.188663D+02  0.119114D+01 -0.472735D+01  0.270191D+02 -0.231212D+02
      2   0.132665D+01 -0.456284D+00 -0.343396D+01  0.657130D+01 -0.902515D+01
      3  -0.614674D+01  0.513341D+00  0.322233D+01  0.173144D+01 -0.323800D+00
                46            47            48            49            50 
      1   0.885902D+00 -0.210048D+01  0.490958D+01 -0.114920D+02 -0.216520D+02
      2   0.174888D+02  0.556224D+01  0.858615D+00  0.197025D+01 -0.166196D+01
      3  -0.186850D+02 -0.818896D+01 -0.539263D+01  0.128936D+02  0.220629D+02
                51            52            53            54            55 
      1  -0.813416D+01  0.139581D+02  0.141675D+02  0.193459D+02  0.125039D+01
      2  -0.370727D+01 -0.158663D+02 -0.118665D+02 -0.153280D+02 -0.103065D+02
      3   0.799254D+01 -0.347248D+01  0.176139D+01 -0.525327D+00  0.861859D+01
                56            57            58            59            60 
      1  -0.335685D+01 -0.363490D+00 -0.304552D+01  0.240644D+01 -0.642643D+01
      2   0.511248D+01  0.520197D+01  0.698400D+01 -0.224065D+01  0.648633D+01
      3   0.379351D+01 -0.536518D+01  0.686638D+01 -0.796905D+01  0.685906D+01
                61            62            63            64            65 
      1  -0.102513D+01 -0.109667D+01  0.116568D+00 -0.195672D+01 -0.235802D+01
      2   0.207759D+01  0.128830D+01  0.193333D+01  0.316361D+00  0.377359D+01
      3  -0.662741D+01  0.704576D+01 -0.365408D+01 -0.758534D+01 -0.809626D+01
                66            67            68            69            70 
      1  -0.150972D+01 -0.374270D+01 -0.265441D+01 -0.262930D+01 -0.384100D+00
      2   0.871914D+01  0.495314D+01  0.117628D+02 -0.457898D+01  0.285061D+01
      3  -0.205517D-01 -0.503530D+01  0.712689D+01 -0.867484D+01 -0.108032D+01
                71            72            73            74            75 
      1  -0.400373D+00  0.123936D+01 -0.224732D+01  0.102281D+02  0.161734D+01
      2   0.116425D+00 -0.152594D+01 -0.193512D+02 -0.282336D+00 -0.808050D+00
      3  -0.967169D+01  0.364181D+01  0.168349D+01  0.978199D+01  0.414649D+00
                76            77            78            79            80 
      1   0.198631D+02 -0.415582D+01 -0.960888D+01 -0.362237D+01  0.239499D+01
      2   0.245647D+01 -0.550839D+01 -0.295484D+01 -0.281561D+02  0.138115D+01
      3   0.308129D+02 -0.466078D+01 -0.960877D+01 -0.163012D+01 -0.339583D+01
                81            82            83            84            85 
      1   0.617299D+01  0.233558D+01  0.311897D+01 -0.626265D+01 -0.421992D+01
      2   0.241126D+02  0.119331D+02 -0.131897D+02  0.490416D+01 -0.622322D+01
      3   0.589515D+00  0.142955D+02 -0.230979D+02  0.793029D+01 -0.194150D+01
                86            87            88            89            90 
      1   0.223883D+02 -0.390011D+01 -0.108212D+02  0.237926D+02 -0.237826D+02
      2  -0.564074D+01  0.515779D+01 -0.667788D+01  0.889123D+01 -0.678403D+01
      3  -0.179330D+02  0.548784D+01  0.357722D+01  0.445461D+00  0.391050D+00
                91            92            93            94            95 
      1  -0.847353D+01 -0.285877D+01 -0.115552D+01 -0.322128D+01  0.282626D+00
      2  -0.108404D+02  0.519184D+00  0.282299D+01 -0.122976D+01  0.771130D+00
      3  -0.242415D+01  0.805793D+01  0.760313D+01  0.111907D+02  0.185869D+01
                96            97            98            99           100 
      1  -0.858031D+01  0.102102D+01 -0.195727D+01  0.801477D+00 -0.560465D+00
      2  -0.500551D+01  0.103114D+01 -0.123962D+01  0.203495D+01 -0.102657D+01
      3   0.432022D+01  0.874754D+01  0.390675D+01  0.362224D+01  0.839703D+00
               101           102           103           104           105 
      1  -0.482046D+00  0.418189D+01 -0.226791D+01  0.938159D+01 -0.245017D+01
      2   0.195002D+01  0.895313D+01  0.138441D+01  0.103943D+02  0.195148D+01
      3  -0.113886D+02 -0.327708D+01 -0.840291D+01 -0.343301D+00 -0.805440D+01
               106           107           108           109           110 
      1   0.115556D+01 -0.827035D+00 -0.192503D+01  0.526290D+01  0.813883D+01
      2   0.227355D+01 -0.859826D+00 -0.108025D+01 -0.219053D+02  0.276386D+01
      3  -0.271797D+01 -0.923686D+01 -0.370554D+01  0.136804D+02  0.599775D+01
               111           112           113           114           115 
      1  -0.469892D+01  0.160089D+02 -0.879337D+01 -0.650303D+01 -0.620213D+01
      2   0.240121D+01 -0.358995D+01 -0.371742D+01  0.586224D+01 -0.260750D+02
      3  -0.415238D+01  0.271826D+02 -0.105931D+02 -0.875647D+01  0.224631D+00
               116           117           118           119           120 
      1   0.424727D+01  0.371954D+01  0.150726D+01 -0.163127D+01 -0.194995D+01
      2   0.820425D+01  0.247142D+02  0.212358D+01  0.924315D+00  0.587447D+01
      3  -0.394323D+01 -0.412736D+00  0.750922D+01 -0.549031D+01 -0.306698D+01
               121           122           123           124           125 
      1  -0.252929D+00  0.107559D+01 -0.321014D+00 -0.130235D+01  0.137251D+01
      2  -0.305357D+01 -0.172166D+01  0.326754D+00  0.250188D+01 -0.258934D+00
      3  -0.211925D+01  0.182076D+01  0.231547D+01 -0.880600D+00  0.286969D+01
               126           127           128           129           130 
      1   0.721891D+00  0.716995D+00  0.996569D+00  0.733830D+00 -0.156486D+00
      2  -0.249126D+01 -0.427218D+01  0.145787D+01 -0.221710D+01  0.971715D+00
      3   0.104897D+01 -0.309869D+01  0.326595D+01 -0.197704D+01  0.272553D+01
               131           132           133           134           135 
      1  -0.305907D+01 -0.191441D+01 -0.115786D+00  0.117575D+01  0.924191D+00
      2  -0.661367D+01  0.739671D+01 -0.201860D+01  0.528289D+01 -0.624219D+01
      3  -0.146636D+02  0.690657D+01 -0.695646D+00  0.567783D+01 -0.556380D+01
               136           137           138           139           140 
      1   0.136281D+00  0.977912D+00 -0.156596D+01  0.233973D+01  0.216405D+01
      2   0.615883D+00  0.566453D+00  0.488532D+01 -0.349430D+01  0.717384D+00
      3  -0.183832D+01 -0.535352D+01 -0.995417D+00 -0.196745D+01 -0.762109D+01
               141           142           143           144           145 
      1  -0.125666D+01 -0.929426D+00  0.462176D+00 -0.992039D+00 -0.261798D+01
      2   0.316312D+01  0.155871D+01  0.252071D+01  0.253191D+01  0.307566D+01
      3  -0.370915D+01  0.103541D+01 -0.285077D+01 -0.109076D+01  0.442613D+01
               146           147           148           149           150 
      1   0.126006D+01 -0.119275D+01  0.247152D+01 -0.583433D+01  0.283241D+01
      2   0.246030D+00  0.250687D+01  0.579746D+00  0.422544D+01 -0.692340D+01
      3  -0.454966D+01  0.260842D+01 -0.512873D+01  0.132415D+02 -0.669231D+01
               151           152           153           154           155 
      1  -0.147502D+01  0.410555D+01 -0.307187D+01  0.131042D+01 -0.552212D+00
      2   0.865466D+00 -0.370520D+01  0.554092D+01  0.126382D+01 -0.775815D+00
      3   0.291497D+01 -0.495270D+01  0.557910D+01  0.141638D+00 -0.221277D+01
               156           157           158           159           160 
      1   0.214936D+01  0.222744D+01 -0.292527D+01 -0.349341D+01  0.113813D+01
      2   0.267506D+01  0.243485D+01  0.855115D+00 -0.377831D+01  0.335263D-01
      3  -0.507398D+00  0.116659D+01  0.934486D+01 -0.380866D+01 -0.206113D+01
               161           162           163           164           165 
      1  -0.107932D+01  0.179586D+01  0.519868D+01  0.184411D+01  0.398548D+01
      2  -0.272324D+01  0.187971D+01  0.955476D+00 -0.399389D+00  0.386347D+01
      3  -0.219925D+01  0.106913D+01 -0.918582D+01 -0.625138D+01 -0.500331D+01
               166           167           168           169           170 
      1   0.283577D+01  0.540725D+01  0.410424D+01  0.355100D+01  0.412345D+01
      2  -0.118833D+01  0.244381D+01  0.423339D+01  0.100317D+01  0.157853D+01
      3  -0.683665D+01 -0.856429D+01 -0.518500D+01 -0.451785D+01 -0.340853D+01
               171           172           173           174           175 
      1   0.488052D+01 -0.105133D+01 -0.211181D+01  0.357560D+01  0.686054D+00
      2   0.379303D+01  0.295467D+01 -0.194390D+01  0.425900D+01  0.118518D+01
      3  -0.554981D+01 -0.935733D+01 -0.236872D+01  0.371370D+01  0.102823D+01
               176           177           178           179           180 
      1  -0.115487D+01 -0.194503D+01  0.253143D+01  0.427109D+00 -0.160694D+01
      2  -0.157663D+01 -0.195650D+01  0.156551D+01 -0.961426D+00 -0.200352D+01
      3   0.579386D-01  0.965742D+00  0.193544D+01  0.231288D+01 -0.105107D+01
               181           182           183           184           185 
      1  -0.194363D+01  0.127815D+01 -0.319766D+01  0.398796D+00 -0.223669D-02
      2  -0.507177D+01 -0.266269D+01 -0.399113D+01 -0.178515D+01 -0.583881D+01
      3   0.684376D+01  0.653414D+01  0.447496D+01  0.600946D+01  0.108605D+02
               186           187           188           189           190 
      1  -0.372173D+01 -0.979722D+00 -0.614680D+00 -0.316951D+01 -0.861720D+00
      2  -0.498962D+01 -0.379609D+01 -0.416860D+01 -0.535754D+01 -0.181206D+01
      3   0.563571D+01  0.280621D+01  0.494294D+01  0.555871D+01  0.653287D+01
               191           192           193           194           195 
      1   0.370319D+01 -0.261641D+01 -0.468219D+00 -0.147745D+00 -0.542109D+01
      2  -0.206760D+01  0.713346D+00 -0.127137D+01 -0.626398D+00  0.101070D+01
      3   0.261920D+01  0.354257D+01  0.602317D+01  0.285300D+01  0.146340D+01
               196           197           198           199           200 
      1  -0.221298D+01 -0.194402D+01 -0.266165D+01 -0.488120D+01 -0.439045D+00
      2  -0.870375D+00  0.616882D+00  0.664016D+00  0.569278D+01 -0.205947D+01
      3   0.297053D+01 -0.672612D+00  0.109983D+01 -0.143567D+02  0.379397D+01
               201           202           203           204           205 
      1   0.751886D+01 -0.297343D+00 -0.333361D+01 -0.174500D+01  0.428336D+01
      2  -0.200483D+01 -0.795135D+00  0.179780D+01  0.602749D+00 -0.371075D+01
      3   0.696875D+01  0.319074D+01 -0.341401D+01 -0.173252D+01  0.523067D+01
               206           207           208           209           210 
      1  -0.573099D+00 -0.585066D+01  0.156996D+01  0.349815D+01  0.423330D+00
      2   0.869893D+00  0.231772D+01 -0.115240D+01  0.734878D+00  0.118669D+00
      3  -0.224483D+01 -0.555038D+01 -0.293521D+01  0.271979D+01 -0.272581D+01
               211           212           213           214           215 
      1  -0.665567D+00 -0.160712D+01 -0.607710D+01  0.791173D+00 -0.256808D+01
      2   0.157050D+01 -0.147421D+01  0.119375D+01 -0.144178D+01  0.793132D+00
      3   0.607032D+01 -0.643687D+01  0.272711D+01 -0.296860D+01  0.493514D+00
               216           217           218           219           220 
      1   0.256229D+01  0.642885D+01 -0.707982D+00 -0.783720D+01 -0.103317D+01
      2  -0.399347D+00  0.396639D+01  0.575832D+00  0.995896D+00 -0.630917D+00
      3  -0.106690D+01  0.152314D+02 -0.111185D+01 -0.711268D+01 -0.166101D+01
               221           222           223           224           225 
      1   0.405494D+01  0.126965D+01 -0.530288D+01  0.131487D+01  0.631471D+01
      2  -0.232979D+00 -0.301292D+00 -0.189117D+01  0.132663D+00 -0.114049D+00
      3   0.250097D+01  0.106170D+01 -0.572519D+01 -0.404091D-01  0.556803D+01
               226           227           228           229           230 
      1  -0.562685D+00  0.387260D+01  0.766575D+00  0.929262D+00  0.859327D+00
      2  -0.887647D+01  0.373433D+01 -0.376319D+00  0.110309D+01 -0.279202D-01
      3  -0.117246D+02  0.162121D+01 -0.208116D+01  0.189382D+01 -0.585067D+00
               231           232           233           234           235 
      1  -0.185571D+01  0.188701D+01 -0.213217D+01  0.556277D+00  0.177038D+01
      2  -0.711855D+00  0.155678D+01 -0.215895D+01 -0.191213D+00  0.175835D+00
      3  -0.449252D+00  0.199262D+01 -0.655321D+00 -0.392069D+00 -0.305718D+00
               236           237           238           239           240 
      1   0.370605D-01 -0.599180D+00  0.137285D+01  0.883685D-01  0.328301D+01
      2   0.350811D+00 -0.118666D+01  0.848076D-01 -0.216677D+01  0.173291D+01
      3  -0.539098D+00 -0.167172D+01  0.293852D+00 -0.171064D+01 -0.531153D-01
               241           242           243           244           245 
      1   0.270835D+01  0.678827D+00  0.152162D+02 -0.165523D+01  0.251839D+01
      2  -0.153396D+01 -0.151606D+01  0.414985D+01 -0.935397D+01 -0.978713D+00
      3  -0.186677D+01 -0.183957D+01 -0.161868D+01  0.113012D+02 -0.280428D+01
               246           247           248           249           250 
      1  -0.131092D+01  0.791772D+00 -0.198193D+01 -0.983173D+00 -0.149728D+01
      2   0.430914D+00  0.262682D+01  0.126106D+01  0.126967D+01  0.306356D+01
      3   0.177856D+01 -0.255101D+01  0.940745D+00 -0.121683D+01 -0.209000D+01
               251           252           253           254           255 
      1  -0.589748D+00 -0.562975D+00 -0.104564D+01 -0.146618D-01  0.101024D+01
      2   0.175183D+01  0.148522D-01  0.727412D-01 -0.121752D+01 -0.232382D+01
      3   0.161595D+00  0.404424D+00  0.439697D+00 -0.487488D-02  0.151855D+01
               256           257           258           259           260 
      1   0.130597D+01 -0.137119D+01  0.214762D+01 -0.239311D+01  0.231730D+01
      2  -0.146164D+01 -0.126436D+01 -0.215509D+01  0.110056D+00  0.119326D+01
      3   0.835043D+00  0.159192D+01 -0.680062D+00  0.101064D+01 -0.242098D+01
               261           262           263           264           265 
      1  -0.124549D+02 -0.298496D+01 -0.301376D+01  0.654342D+00 -0.387723D+01
      2   0.964343D+01  0.356846D+01  0.210763D+01  0.186605D+01  0.598084D+01
      3   0.162895D+01 -0.491933D+01 -0.579318D+01  0.695970D+00 -0.558794D+01
               266           267           268           269           270 
      1  -0.488354D+01  0.483070D+00 -0.910258D+00  0.744927D-01 -0.434076D+00
      2   0.659606D+00 -0.557247D+00  0.369043D+01  0.661504D+00 -0.355028D+00
      3  -0.739445D+01  0.204284D+01 -0.157098D+01 -0.140682D+01 -0.416375D+00
               271           272           273           274           275 
      1  -0.146411D+01  0.102610D+01  0.247318D+00  0.146576D+00 -0.117723D+01
      2   0.100776D+01 -0.301271D+00 -0.379591D+01 -0.129066D+01 -0.157524D+01
      3  -0.124537D+01  0.238955D+00  0.797513D+00  0.108621D+01 -0.765909D+00
               276           277           278           279           280 
      1   0.701652D+00 -0.105820D+00  0.315660D+01 -0.402409D+01 -0.188634D+00
      2   0.887873D+00  0.933940D+00  0.130156D+01 -0.152451D+02  0.396994D+01
      3   0.147198D+01 -0.665392D+00  0.253225D+01 -0.162437D+01  0.589335D+01
               281           282           283           284           285 
      1  -0.601765D+01  0.849711D+00 -0.196319D+01 -0.500042D+01 -0.167681D+01
      2   0.324098D+01 -0.262484D+00  0.291056D+01  0.324847D+01 -0.922043D+00
      3   0.569019D+01 -0.191179D+01  0.592023D+01  0.639060D+01 -0.945776D+00
               286           287           288           289           290 
      1  -0.160209D+00 -0.388338D+01  0.295345D+00  0.113002D+01  0.161102D+01
      2  -0.182042D+00  0.403927D+00  0.484199D+00  0.149615D+01  0.578885D-01
      3   0.122215D+01  0.176252D+01  0.412779D+00  0.948556D+00 -0.111787D+01
               291           292           293           294           295 
      1  -0.129443D+01  0.719297D+00 -0.936695D+00  0.363129D+01 -0.756127D+00
      2  -0.838244D+00 -0.949576D+00  0.121211D+01  0.134808D+00 -0.326884D+01
      3  -0.136037D+01 -0.269285D+00  0.108125D+01 -0.978621D+00 -0.260013D+01
               296           297           298           299           300 
      1  -0.105899D+01  0.145858D+02 -0.115606D+01 -0.385158D+01 -0.127984D+01
      2  -0.458405D+00  0.597665D+01  0.231849D+01 -0.121150D+01  0.627013D+00
      3   0.320180D+00  0.164618D+01 -0.186574D+01  0.380012D+01  0.143461D+01
               301           302           303           304           305 
      1  -0.264613D-01  0.871029D+01 -0.750628D+00 -0.138086D+01 -0.344343D+01
      2  -0.245556D+01  0.241166D+01  0.136043D+01  0.198733D+00  0.112127D+01
      3   0.405176D+01 -0.104495D+02 -0.163314D+01 -0.414318D+00  0.205012D+01
               306           307           308           309           310 
      1  -0.982041D-01  0.674054D+00  0.172813D+01  0.205818D+01  0.129835D+01
      2   0.560319D+00  0.166234D+01 -0.103474D+01 -0.174864D+01  0.248330D+00
      3  -0.400946D+00 -0.145246D+01 -0.950863D+00  0.884401D+00 -0.103116D+00
               311           312           313           314           315 
      1   0.132640D+00  0.272717D+01 -0.815727D+00 -0.486206D+00 -0.111916D+02
      2   0.916362D+00 -0.945423D+00 -0.275215D+01  0.200846D+01  0.111079D+02
      3  -0.531898D+00 -0.140500D+01  0.252181D+01 -0.695968D+00 -0.162055D+01
               316           317           318           319           320 
      1   0.791383D+00 -0.201003D+01  0.405963D+00 -0.427680D+01  0.799655D+01
      2  -0.410479D-01 -0.127003D+01  0.196033D+01 -0.457328D+01  0.934235D+00
      3   0.116465D+01 -0.328114D+01  0.179104D+00 -0.302940D+01  0.110248D+02
               321           322           323           324           325 
      1   0.585738D+00  0.203682D+01 -0.103940D+01  0.252406D+00  0.218977D+01
      2  -0.424806D+00  0.260271D+01 -0.174207D+01 -0.506215D+00  0.431397D+00
      3   0.217874D+01  0.932385D+00 -0.189574D+01  0.380982D+00  0.166218D+01
               326           327           328           329           330 
      1   0.347063D+00 -0.143851D+01 -0.929329D-01  0.753249D-01  0.920715D+00
      2  -0.110301D+01 -0.358249D+01  0.167597D+00 -0.190622D+01  0.296904D+00
      3  -0.132079D+00 -0.166248D+00  0.699453D+00  0.373837D+00  0.165984D+01
               331           332           333 
      1   0.134300D+01  0.206533D+01 -0.212173D+01
      2  -0.166514D+00 -0.253652D+01 -0.156258D+02
      3   0.157883D+01  0.209246D+01  0.162749D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.675636D+01 -0.138481D+02  0.754010D+01 -0.965984D+01  0.252874D+02
      2   0.112492D+02  0.247410D+02 -0.825692D+01  0.181768D+02 -0.368222D+02
      3  -0.449287D+01 -0.108929D+02  0.716822D+00 -0.851695D+01  0.115348D+02
      4  -0.953468D+01  0.643311D+01  0.123048D+02  0.652501D+01  0.130196D+02
      5   0.789139D+01  0.165256D+00 -0.758491D+01 -0.300255D+01 -0.312847D+01
      6   0.136993D+02 -0.891618D+01 -0.553291D+01 -0.401893D+01  0.233472D+02
                 6             7             8             9            10 
      1  -0.122267D+02  0.585027D+01 -0.920535D+01 -0.139691D+01  0.113953D+02
      2   0.228530D+02 -0.586171D+01  0.179138D+02 -0.219086D+01 -0.160937D+02
      3  -0.106263D+02  0.114439D-01 -0.870849D+01  0.358777D+01  0.469841D+01
      4  -0.185629D+00  0.104380D+02 -0.148829D+01 -0.395848D+01  0.159121D+01
      5  -0.841963D+00 -0.629754D+01 -0.747325D-01  0.369740D+00 -0.800366D+00
      6  -0.590689D+01 -0.366649D+01 -0.658975D+01 -0.523465D+01 -0.209582D+02
                11            12            13            14            15 
      1   0.109166D+02 -0.561971D+00  0.836292D+01 -0.182785D+01  0.780863D+01
      2  -0.245983D+02 -0.417103D+01 -0.196892D+02 -0.408093D+00 -0.173665D+02
      3   0.136817D+02  0.473300D+01  0.113263D+02  0.223595D+01  0.955786D+01
      4  -0.226434D+02 -0.179770D+02 -0.187517D+02 -0.195380D+02 -0.610530D+01
      5  -0.812767D+01 -0.507197D+01 -0.331616D+01 -0.898990D+01  0.528831D+00
      6  -0.789934D+01  0.520916D+01 -0.459838D+01 -0.151299D+02 -0.827800D+01
                16            17            18            19            20 
      1  -0.132985D+01  0.509740D+01  0.137162D+01 -0.162142D+02 -0.421520D+01
      2  -0.211248D+01 -0.131564D+02 -0.502240D+01  0.105938D+02  0.665390D+01
      3   0.344234D+01  0.805898D+01  0.365078D+01  0.562046D+01 -0.243869D+01
      4  -0.148767D+02 -0.562204D+01  0.240746D+01 -0.689233D+01  0.535029D+01
      5  -0.505478D+01 -0.698331D+00  0.229496D+01 -0.378866D+01  0.246103D+01
      6   0.289819D+01 -0.802149D+01  0.445769D+01  0.462643D+01  0.264341D+01
                21            22            23            24            25 
      1  -0.171207D+01 -0.832742D+01 -0.876255D+01 -0.968478D+01 -0.441839D+00
      2  -0.364126D+00  0.129504D+02  0.696521D+01  0.115035D+02  0.104967D+01
      3   0.207619D+01 -0.462297D+01  0.179734D+01 -0.181876D+01 -0.607834D+00
      4   0.219266D+01  0.748161D+01  0.875634D+01  0.499471D+01  0.727498D+00
      5   0.437834D+01  0.146894D+01  0.852517D+01  0.164728D+01  0.361576D+01
      6   0.221056D+01  0.395738D+01  0.763524D+01  0.669760D+01  0.356758D-01
                26            27            28            29            30 
      1  -0.520172D+01  0.380564D+01 -0.891600D+01  0.990498D-01 -0.550322D+01
      2   0.507015D+01  0.107188D+02  0.289484D+01 -0.727037D-01  0.552517D+01
      3   0.131563D+00 -0.145244D+02  0.602116D+01 -0.263461D-01 -0.219488D-01
      4   0.360342D+01  0.343724D-01  0.559453D-01 -0.588570D+01  0.369769D+01
      5   0.481916D+00 -0.382274D+01 -0.365061D+01  0.241200D+01 -0.323684D+01
      6   0.576295D+01 -0.636109D+01  0.237832D+01  0.368901D+01 -0.223988D-01
                31            32            33            34            35 
      1   0.227493D-01  0.285746D+01  0.370275D+01 -0.781216D+01  0.537981D+01
      2   0.330777D-02 -0.891014D+01 -0.370536D+01  0.783128D+01 -0.537737D+01
      3  -0.260570D-01  0.605268D+01  0.260561D-02 -0.191274D-01 -0.243597D-02
      4  -0.602566D+01  0.666927D-01  0.553797D+01  0.540924D+01  0.774796D+01
      5   0.241351D+01  0.368556D+01  0.224065D-01  0.351670D+01 -0.279804D-01
      6   0.362938D+01 -0.246415D+01 -0.322140D+01 -0.798637D-02  0.351058D+01
                36            37            38            39            40 
      1   0.496508D+00 -0.216327D+01  0.193710D+01  0.110392D+01  0.616360D+01
      2   0.499997D+00 -0.538510D+01 -0.200609D+01 -0.371260D+01 -0.841414D+01
      3  -0.996505D+00  0.754836D+01  0.689821D-01  0.260868D+01  0.225053D+01
      4   0.689188D-02  0.112873D+02 -0.505887D+01 -0.249970D+01 -0.720821D+01
      5  -0.577211D-01 -0.418073D+01  0.257227D+01  0.332096D+01  0.396443D+01
      6  -0.824372D-03 -0.118210D+01 -0.501154D+00 -0.740477D+00  0.422888D+00
                41            42            43            44            45 
      1  -0.176497D+02  0.104309D+02  0.174847D+01  0.591589D+01  0.489305D+01
      2   0.177184D+02 -0.112881D+02 -0.117381D+01 -0.607562D+01  0.960622D+01
      3  -0.687873D-01  0.857182D+00 -0.574658D+00  0.159724D+00 -0.144993D+02
      4   0.234482D+01 -0.326539D+01 -0.513020D+00 -0.109633D+01  0.237573D+01
      5   0.380189D+01 -0.247491D+00  0.376318D+01  0.406360D+00 -0.108402D+01
      6  -0.117069D+02  0.761510D+01  0.793779D+00  0.546818D+01  0.742426D+01
                46            47            48            49            50 
      1   0.241954D+01  0.939814D+01  0.993135D+01  0.395463D+01  0.137727D+02
      2  -0.525837D+01 -0.444175D+01 -0.786066D+01 -0.106971D+01 -0.183828D+02
      3   0.283883D+01 -0.495638D+01 -0.207069D+01 -0.288493D+01  0.461016D+01
      4   0.806713D+01  0.113701D+02  0.713397D+01  0.800867D+01 -0.895565D+00
      5   0.566928D+01  0.372415D+01  0.607636D+01  0.236138D+01  0.582518D+01
      6   0.859452D+01  0.345835D+01  0.181534D+01  0.427785D+01 -0.245855D+01
                51            52            53            54            55 
      1   0.307823D+00  0.364826D+01  0.132089D+01  0.105352D+02  0.877125D+01
      2  -0.216864D+01 -0.391322D+01 -0.774825D+00  0.396253D+01 -0.766604D+01
      3   0.186082D+01  0.264956D+00 -0.546064D+00 -0.144977D+02 -0.110522D+01
      4   0.319551D+01  0.455816D+01  0.145998D+01  0.893226D+00 -0.121198D+02
      5   0.238306D+01  0.559035D+01  0.290469D+00 -0.588312D+01 -0.124805D+02
      6   0.483752D+01  0.732543D+00  0.369052D+01 -0.462872D+01 -0.907297D+01
                56            57            58            59            60 
      1  -0.111292D+02 -0.153195D+02 -0.153146D+02 -0.199328D+02 -0.148280D+01
      2   0.586132D+00  0.645265D+01  0.219460D+01  0.119972D+02 -0.444216D+01
      3   0.105431D+02  0.886688D+01  0.131200D+02  0.793559D+01  0.592496D+01
      4  -0.230287D+02 -0.668650D+01 -0.279410D+02 -0.860400D+01 -0.188370D+02
      5  -0.298756D+01 -0.882876D+01 -0.579909D+01 -0.219470D+02  0.468980D+01
      6  -0.460702D+01  0.552244D-01 -0.978324D+01 -0.532666D+01 -0.437618D+01
                61            62            63            64            65 
      1  -0.116399D+02  0.284007D+00 -0.542724D+01 -0.431787D+02  0.860057D+01
      2   0.403025D+01 -0.473093D+01  0.186293D+01  0.294351D+02 -0.249797D+01
      3   0.760965D+01  0.444692D+01  0.356431D+01  0.137436D+02 -0.610261D+01
      4  -0.578647D+01 -0.153330D+02  0.161913D+01  0.160859D+01  0.109341D+02
      5  -0.817768D+01  0.256442D+01  0.417808D+01  0.250225D+02 -0.196400D+01
      6  -0.106368D+01 -0.480363D+01  0.287179D+01  0.691452D+00 -0.463834D+01
                66            67            68            69            70 
      1   0.235589D+02  0.149451D+02  0.175450D+02 -0.815790D+01  0.190175D+02
      2  -0.129488D+02 -0.646123D+01 -0.108098D+02  0.881629D+01 -0.102852D+02
      3  -0.106101D+02 -0.848390D+01 -0.673512D+01 -0.658387D+00 -0.873233D+01
      4   0.301744D+01  0.123412D+02 -0.399595D+01  0.102637D+02  0.100106D+01
      5  -0.518494D+01 -0.721831D+01  0.110489D+02 -0.520494D+01 -0.621490D+01
      6  -0.522771D+00 -0.220934D+01  0.883657D+01 -0.834707D+01 -0.735576D-01
                71            72            73            74            75 
      1  -0.595989D+01 -0.125731D+01  0.171736D+02 -0.293169D+01 -0.967394D+01
      2   0.707744D+01 -0.238091D+01 -0.168803D+02  0.170723D+01  0.914868D+01
      3  -0.111755D+01  0.363822D+01 -0.293327D+00  0.122445D+01  0.525256D+00
      4   0.878255D+01 -0.394474D+01  0.881090D+01 -0.910308D+01 -0.554173D+01
      5  -0.364462D+01 -0.519622D+01 -0.119224D+02 -0.164426D+01  0.771070D+01
      6  -0.678108D+01 -0.278670D+00  0.132172D+01  0.471414D+01  0.324005D+00
                76            77            78            79            80 
      1   0.250617D+01 -0.879159D+01 -0.419493D+01 -0.563213D+01 -0.176734D+01
      2  -0.159160D+01  0.105030D+01  0.149935D+01  0.532274D+01  0.231577D+01
      3  -0.914573D+00  0.774129D+01  0.269559D+01  0.309384D+00 -0.548432D+00
      4  -0.570834D+01  0.858166D+01 -0.375711D+01 -0.247782D+01 -0.122384D+01
      5  -0.215817D+01 -0.910739D+00 -0.231289D+00  0.541041D+01  0.100577D+01
      6   0.324761D+01 -0.332729D+01  0.326867D+01  0.608652D+00  0.397918D+01
                81            82            83            84            85 
      1   0.899438D+01 -0.122033D+01  0.523854D+01  0.293512D+01  0.701790D+01
      2   0.553482D+01 -0.460882D+01 -0.980106D+01 -0.328816D+00 -0.938657D+01
      3  -0.145292D+02  0.582915D+01  0.456252D+01 -0.260630D+01  0.236867D+01
      4   0.287606D+01 -0.156942D+01  0.922336D+01 -0.929456D+01  0.371925D+01
      5   0.740312D+01  0.159948D+01 -0.214023D+00  0.443455D+01  0.136489D+01
      6  -0.141502D+00 -0.527920D+01  0.686452D+01 -0.167755D+01  0.706620D+01
                86            87            88            89            90 
      1   0.649995D+01  0.127986D+01 -0.551740D+00  0.301493D+00  0.896241D+01
      2  -0.803884D+01 -0.419220D+00  0.104906D+00 -0.816964D+00  0.557904D+01
      3   0.153889D+01 -0.860638D+00  0.446835D+00  0.515471D+00 -0.145414D+02
      4  -0.178013D+02  0.730846D+01 -0.492322D+01  0.396138D+01 -0.299337D+01
      5   0.666049D+01 -0.222241D+01  0.500279D+01 -0.810575D+00 -0.359373D+01
      6  -0.498519D+01  0.658429D+01 -0.127359D+01  0.438686D+01  0.651824D+01
                91            92            93            94            95 
      1   0.651706D+01 -0.132981D+02 -0.111304D+02 -0.136179D+02 -0.703287D+00
      2   0.159203D+01  0.172590D+02  0.531023D+01  0.200572D+02 -0.143044D+02
      3  -0.810910D+01 -0.396095D+01  0.582017D+01 -0.643923D+01  0.150077D+02
      4  -0.114651D+02 -0.856274D+01  0.670097D+01 -0.139438D+02  0.317063D+02
      5  -0.855912D+01 -0.300945D+01 -0.998849D+01 -0.242793D+01 -0.177664D+02
      6   0.727983D+01 -0.287219D+01  0.229187D+01 -0.881825D+01  0.193114D+02
                96            97            98            99           100 
      1  -0.778374D+01 -0.862642D+01 -0.752674D+01 -0.554435D+01 -0.273217D+02
      2   0.167016D+02  0.342409D+01  0.144720D+02  0.182549D+01  0.112800D+02
      3  -0.891785D+01  0.520234D+01 -0.694525D+01  0.371886D+01  0.160417D+02
      4  -0.161894D+02  0.528488D+01 -0.119135D+02  0.149540D+01  0.299906D+02
      5  -0.235669D+01 -0.812361D+01 -0.111473D+01  0.304000D+01  0.225155D+02
      6  -0.346433D+01  0.247355D+01 -0.471863D+01 -0.450665D+01 -0.140012D+02
               101           102           103           104           105 
      1   0.188557D+02  0.197751D+02  0.149810D+02  0.975451D+01  0.586115D+01
      2  -0.154897D+02 -0.102483D+02 -0.140448D+02 -0.879136D+00 -0.105274D+02
      3  -0.336597D+01 -0.952684D+01 -0.936240D+00 -0.887537D+01  0.466622D+01
      4  -0.381749D+01 -0.133516D+02  0.919277D+00 -0.123874D+02  0.694661D+01
      5  -0.645305D+01 -0.350932D+01 -0.696569D+00  0.713434D+01  0.317550D+01
      6  -0.438973D+01 -0.152258D+01 -0.414922D+01 -0.867694D+01 -0.987972D+01
               106           107           108           109           110 
      1   0.168015D+02  0.411701D+01  0.141203D+01 -0.511055D+00 -0.951349D+01
      2  -0.923016D+01 -0.839977D+01 -0.506816D+01 -0.267541D+00  0.783339D+01
      3  -0.757133D+01  0.428277D+01  0.365613D+01  0.778596D+00  0.168011D+01
      4  -0.945925D+01  0.552630D+01  0.232950D+01 -0.197135D+02 -0.901492D+00
      5  -0.488686D+01  0.287300D+01 -0.490518D+01 -0.739782D+01  0.655666D+01
      6  -0.754886D+00 -0.792032D+01  0.245823D+01  0.543676D+01  0.288168D+01
               111           112           113           114           115 
      1  -0.244998D+01 -0.112960D+02 -0.704577D+01  0.182516D+01 -0.190548D+01
      2   0.302094D+01  0.751967D+01  0.352036D+00  0.891960D+00  0.149778D+01
      3  -0.570965D+00  0.377636D+01  0.669373D+01 -0.271712D+01  0.407700D+00
      4   0.794777D+01  0.446175D+01 -0.115428D+01 -0.837651D+01  0.412629D+01
      5   0.699156D+01  0.653685D+01 -0.363043D+01 -0.134347D+01  0.454921D+01
      6  -0.187371D+01  0.134004D+01  0.135970D+01  0.397462D+01 -0.834812D+00
               116           117           118           119           120 
      1   0.111989D+01  0.635750D+01  0.788117D+02 -0.138162D+01 -0.200810D+02
      2  -0.161000D+01  0.817830D+01 -0.452604D+02  0.181905D+01  0.137465D+02
      3   0.490108D+00 -0.145358D+02 -0.335513D+02 -0.437426D+00  0.633454D+01
      4  -0.403117D+01 -0.327380D+01  0.929989D+01  0.813507D+01 -0.211006D+01
      5  -0.131856D+01  0.702019D+01 -0.314464D+02  0.574156D+00  0.183535D+02
      6   0.471740D+01 -0.279682D+01 -0.337448D+01 -0.172052D+01  0.288476D+01
               121           122           123           124           125 
      1  -0.132702D+02  0.707286D+01  0.468274D+01 -0.166160D+02  0.109925D+01
      2   0.916884D+01 -0.380277D+01 -0.444013D+01  0.133529D+02 -0.176802D+01
      3   0.410136D+01 -0.327009D+01 -0.242609D+00  0.326307D+01  0.668774D+00
      4   0.923335D+01 -0.975312D+00 -0.433834D+01 -0.240409D+01 -0.343656D+01
      5   0.584685D+01 -0.557195D+01 -0.279741D+01  0.214883D+02  0.986253D-01
      6  -0.241558D+01 -0.833268D+00  0.265865D+01  0.298282D+01  0.269604D+01
               126           127           128           129           130 
      1   0.127450D+02  0.766356D+00  0.531839D+01 -0.712815D+01  0.476566D+01
      2  -0.105341D+02  0.359391D+00 -0.372835D+01  0.355474D+01 -0.161394D+01
      3  -0.221096D+01 -0.112575D+01 -0.159004D+01  0.357341D+01 -0.315173D+01
      4   0.195098D+01  0.205786D+01  0.765936D-01 -0.122928D+01  0.711738D+01
      5  -0.128863D+02 -0.464055D+01 -0.745261D+00  0.522417D+00 -0.343679D+01
      6  -0.150801D+01 -0.335850D+01  0.272187D+01 -0.197288D+01 -0.197728D+01
               131           132           133           134           135 
      1  -0.131571D+02  0.733531D+01 -0.628869D+01  0.531428D+01 -0.653487D+01
      2   0.179593D+02 -0.607202D+01  0.347006D+01 -0.329404D+01  0.188616D+01
      3  -0.480219D+01 -0.126330D+01  0.281863D+01 -0.202024D+01  0.464871D+01
      4   0.222056D+02 -0.102546D+02 -0.434090D+01 -0.863810D+01  0.784502D+01
      5  -0.102624D+02  0.117769D+02  0.488388D+01  0.833840D+01 -0.104014D+02
      6  -0.165860D+02  0.125492D+02  0.138231D+01  0.110139D+02 -0.107675D+02
               136           137           138           139           140 
      1   0.323869D+02  0.157899D+02  0.933851D+01  0.197519D+02  0.112317D+02
      2  -0.119863D+02 -0.302161D+01 -0.447597D+01 -0.228105D+01  0.504809D+01
      3  -0.204006D+02 -0.127683D+02 -0.486254D+01 -0.174708D+02 -0.162798D+02
      4   0.299073D+02  0.223478D+02  0.908041D+01  0.321762D+02  0.329781D+02
      5   0.174576D+02  0.903028D+01  0.124963D+02  0.129130D+02  0.143753D+02
      6   0.787017D+01  0.561348D+01  0.467279D+01  0.943924D+01  0.113059D+02
               141           142           143           144           145 
      1   0.355099D+01  0.832917D+01  0.221510D+01  0.599898D+01  0.142498D+02
      2   0.510228D+00 -0.524914D+01 -0.707632D+00 -0.381006D+01 -0.956238D+01
      3  -0.406122D+01 -0.308002D+01 -0.150747D+01 -0.218892D+01 -0.468746D+01
      4   0.140140D+02  0.972330D+01  0.103477D+02  0.107841D+02 -0.520475D+01
      5   0.103761D+02  0.160773D+02  0.101690D+02  0.113104D+02  0.117548D+02
      6   0.842335D+01  0.726417D+01  0.821184D+01  0.672148D+01 -0.895128D+00
               146           147           148           149           150 
      1  -0.612628D+01  0.809844D+01 -0.134064D+02  0.801618D+01 -0.328188D+01
      2   0.450859D+01 -0.598535D+01  0.102212D+02 -0.685100D+01  0.647478D+01
      3   0.161768D+01 -0.211308D+01  0.318527D+01 -0.116519D+01 -0.319290D+01
      4   0.757594D+01 -0.166895D+01  0.107477D+02 -0.158857D+02  0.102165D+02
      5  -0.386569D+01  0.970552D+01 -0.886011D+01  0.122452D+02 -0.139214D+02
      6   0.196965D+01 -0.195653D+00  0.408646D+01 -0.579971D+01  0.336960D+01
               151           152           153           154           155 
      1   0.938280D+01 -0.759702D+00  0.416417D+01  0.527037D+01 -0.485790D+01
      2  -0.830818D+01  0.408598D+01 -0.881762D+01  0.384113D+01 -0.495836D+01
      3  -0.107462D+01 -0.332628D+01  0.465345D+01 -0.911150D+01  0.981626D+01
      4  -0.103595D+01  0.727649D+01 -0.612655D+01 -0.164522D+02  0.187189D+02
      5   0.118891D+02 -0.772403D+01  0.148467D+02  0.736024D+01 -0.553618D+01
      6  -0.759820D+00  0.405259D+01 -0.221797D+01 -0.637509D+01  0.465072D+01
               156           157           158           159           160 
      1   0.343722D+01 -0.136726D+01 -0.135778D+02  0.595193D+01  0.162080D+01
      2  -0.511073D+00 -0.131601D+02  0.411874D+02 -0.115736D+02  0.594735D+00
      3  -0.292615D+01  0.145274D+02 -0.276096D+02  0.562163D+01 -0.221554D+01
      4  -0.622687D+01  0.268563D+02 -0.459896D+02  0.145295D+02 -0.750458D+01
      5   0.656750D+01 -0.770342D+01  0.147442D+02 -0.967237D+01  0.872006D+01
      6  -0.389477D+01  0.973544D+01 -0.236028D+02  0.144061D+02 -0.744600D+01
               161           162           163           164           165 
      1   0.528554D+01 -0.303944D+01  0.246144D+02  0.681529D+01  0.100897D+02
      2  -0.777197D+01  0.524337D+01 -0.187028D+02 -0.717851D+01 -0.944448D+01
      3   0.248644D+01 -0.220393D+01 -0.591157D+01  0.363229D+00 -0.645201D+00
      4   0.120314D+02 -0.110450D+02 -0.292627D+01  0.527535D+01 -0.199900D+01
      5  -0.103492D+02  0.774839D+01  0.165099D+02  0.313695D+01  0.138724D+02
      6   0.154509D+02 -0.104081D+02 -0.273020D+01  0.173128D+01 -0.418154D+01
               166           167           168           169           170 
      1   0.144897D+02  0.700994D+01  0.566653D+01  0.869692D+01  0.191047D+01
      2  -0.132641D+02 -0.703760D+01 -0.943627D+01 -0.909056D+01 -0.535207D+01
      3  -0.122562D+01  0.276620D-01  0.376974D+01  0.393632D+00  0.344160D+01
      4   0.289596D+01  0.414112D+01  0.490486D+01 -0.367351D+01  0.520997D+01
      5   0.859799D+01  0.820579D+01  0.972536D+01  0.136425D+02  0.367789D+01
      6   0.177928D+01 -0.190544D+00 -0.756068D+00 -0.326660D+01  0.220364D+01
               171           172           173           174           175 
      1   0.658656D+01  0.552780D+02 -0.136852D+02 -0.150426D+02 -0.383287D+01
      2  -0.111755D+02 -0.248293D+02  0.197863D+01  0.910088D+01 -0.332863D+01
      3   0.458897D+01 -0.304486D+02  0.117065D+02  0.594169D+01  0.716150D+01
      4  -0.292786D+00 -0.424289D+02  0.209068D+02  0.124853D+02  0.148432D+02
      5   0.143631D+02 -0.270480D+02  0.802190D+01  0.160184D+02  0.283740D+01
      6  -0.349918D+01  0.128779D+02 -0.550344D+01 -0.842519D+01 -0.409127D+01
               176           177           178           179           180 
      1   0.496874D+01 -0.743716D+00 -0.109016D+02  0.112192D+01  0.795087D+01
      2   0.145498D+01  0.292302D+01  0.817099D+01  0.718980D+00 -0.573470D+01
      3  -0.642372D+01 -0.217930D+01  0.273063D+01 -0.184090D+01 -0.221617D+01
      4  -0.112444D+02 -0.496276D+01  0.107593D+02 -0.596829D+01 -0.959588D+01
      5  -0.550185D+01 -0.271411D+01  0.176300D+02 -0.627505D+01 -0.112901D+02
      6   0.517211D+01  0.497759D+01 -0.915324D+01  0.652916D+01  0.629606D+01
               181           182           183           184           185 
      1  -0.511996D+01 -0.119459D+02 -0.919783D+01 -0.674276D+01 -0.198985D+02
      2   0.516234D+01  0.123383D+02  0.540038D+01  0.555825D+01  0.258769D+02
      3  -0.423760D-01 -0.392367D+00  0.379745D+01  0.118450D+01 -0.597839D+01
      4   0.157243D+01  0.641019D+00  0.331398D+01  0.470478D+01 -0.802639D+01
      5  -0.158555D+01  0.107676D+01 -0.124517D+01  0.177954D+01 -0.458048D+01
      6   0.666420D+01  0.748296D+01  0.772986D+01  0.208482D+01  0.174842D+02
               186           187           188           189           190 
      1  -0.987730D+01 -0.550272D+01 -0.864185D+01 -0.107984D+02 -0.123931D+01
      2   0.100680D+02  0.211492D+01  0.786139D+01  0.620239D+01  0.136553D+02
      3  -0.190698D+00  0.338780D+01  0.780455D+00  0.459599D+01 -0.124160D+02
      4  -0.408033D+01  0.486411D+01 -0.534020D+01 -0.256324D+01  0.247385D+02
      5  -0.612255D+01  0.233814D+01 -0.474561D+01 -0.537741D+01  0.770125D+01
      6   0.142988D+02  0.218943D+01  0.135192D+02  0.138117D+02  0.127012D+02
               191           192           193           194           195 
      1  -0.780889D+01 -0.217482D+01 -0.613637D+01 -0.211965D+02 -0.695930D+01
      2   0.241579D+02  0.556656D+01  0.178868D+02  0.454949D+02  0.123263D+02
      3  -0.163490D+02 -0.339174D+01 -0.117505D+02 -0.242984D+02 -0.536702D+01
      4   0.284069D+02  0.121212D+02  0.194410D+02  0.294828D+02  0.865266D+01
      5   0.796734D+01  0.655174D+01  0.469628D+01  0.717145D+01  0.389304D+01
      6   0.132783D+02  0.959127D+01  0.895790D+01  0.214334D+02  0.143855D+02
               196           197           198           199           200 
      1  -0.232863D+01 -0.793063D+01 -0.643894D+01 -0.378496D+01  0.760239D+01
      2   0.344109D+01  0.112108D+02  0.862115D+01  0.562253D+01 -0.111641D+02
      3  -0.111246D+01 -0.328020D+01 -0.218221D+01 -0.183757D+01  0.356175D+01
      4   0.859206D+01  0.887564D+01  0.918313D+01 -0.199731D+02  0.118470D+02
      5   0.611327D+01  0.596545D+01  0.521345D+01 -0.825728D+01  0.443389D+01
      6   0.889507D+01  0.182163D+02  0.121324D+02  0.129083D+02 -0.811879D+01
               201           202           203           204           205 
      1   0.435566D+01  0.294939D+01 -0.657410D+01 -0.474309D+01  0.309466D+01
      2  -0.147321D+01 -0.496108D+01  0.106760D+02  0.718444D+01  0.577837D-01
      3  -0.288245D+01  0.201169D+01 -0.410189D+01 -0.244135D+01 -0.315244D+01
      4   0.114706D+02  0.706969D+01 -0.546670D+01 -0.197427D+01  0.795751D+01
      5   0.529491D+01  0.167013D+01 -0.157135D+01 -0.774911D+00  0.525453D+01
      6  -0.145277D+02 -0.343221D+01  0.993320D+01  0.778897D+01 -0.854438D+01
               206           207           208           209           210 
      1  -0.728512D+01 -0.703029D+01 -0.488932D+01  0.118577D+02 -0.496196D+01
      2   0.867352D+01  0.239560D+01  0.914125D+01 -0.198832D+02  0.603837D+01
      3  -0.138840D+01  0.463469D+01 -0.425193D+01  0.802546D+01 -0.107642D+01
      4  -0.224869D+01 -0.754731D+01 -0.505860D+01  0.120707D+02 -0.565617D+01
      5  -0.160178D+01 -0.412209D+01  0.554561D+00 -0.318294D+01  0.293053D+01
      6   0.106410D+02  0.143888D+02 -0.686738D+01  0.881025D+01 -0.484198D+01
               211           212           213           214           215 
      1   0.499717D+01 -0.440813D+02  0.131734D+02 -0.257066D+01  0.132060D+02
      2  -0.841509D+01  0.766724D+02 -0.194189D+02  0.231932D+01 -0.165160D+02
      3   0.341793D+01 -0.325911D+02  0.624547D+01  0.251337D+00  0.331000D+01
      4   0.850077D+01 -0.435986D+01  0.159566D+01 -0.386694D+01  0.103772D+01
      5  -0.179172D+01  0.948100D-01  0.867830D+00  0.261729D+01  0.512339D+00
      6   0.358391D+01 -0.303940D+02  0.180885D+02 -0.238491D+01  0.215344D+02
               216           217           218           219           220 
      1  -0.106312D+02  0.123767D+02 -0.166363D+01 -0.367167D+01 -0.195817D+01
      2   0.128377D+02 -0.824604D+01  0.520221D+01  0.538924D+01  0.393478D+01
      3  -0.220648D+01 -0.413061D+01 -0.353858D+01 -0.171757D+01 -0.197661D+01
      4  -0.112905D+01  0.244054D+02  0.900148D+01 -0.115569D+02  0.180221D+01
      5   0.187628D+00 -0.150564D+02 -0.313126D+01  0.110851D+02  0.119512D+01
      6  -0.129539D+02 -0.116916D+02 -0.450741D+01  0.131617D+02 -0.123032D+01
               221           222           223           224           225 
      1  -0.875437D+00  0.324622D+01 -0.147764D+01  0.426780D+01 -0.285405D+00
      2   0.267130D+01 -0.663860D+01  0.384199D+01 -0.680279D+01 -0.434897D+01
      3  -0.179586D+01  0.339238D+01 -0.236435D+01  0.253499D+01  0.463438D+01
      4   0.294699D+01 -0.129656D+01 -0.898522D+01 -0.414807D+01  0.865723D+01
      5  -0.274508D+01 -0.596341D+00  0.964960D+01  0.200951D+01 -0.931823D+01
      6  -0.567941D+01  0.198045D+01  0.896221D+01  0.624921D+01 -0.117085D+02
               226           227           228           229           230 
      1   0.121273D+02  0.171482D+01 -0.144812D+01 -0.208229D+01  0.210749D+01
      2  -0.396227D+01 -0.719269D+01  0.339932D+00 -0.150270D+01  0.275034D+01
      3  -0.816506D+01  0.547787D+01  0.110819D+01  0.358499D+01 -0.485783D+01
      4  -0.228134D+02  0.101447D+02 -0.398408D+01  0.878033D+01 -0.663031D+01
      5   0.105447D+02 -0.447497D+01  0.430532D+01 -0.237287D+01  0.113730D+01
      6  -0.361810D+01  0.628363D+01 -0.528851D+01  0.143030D+01  0.194457D+00
               231           232           233           234           235 
      1  -0.127857D+01 -0.988037D+00 -0.344410D+01  0.133345D+01 -0.626668D+00
      2   0.134239D+01 -0.163462D+01  0.592369D+01 -0.313136D+01 -0.215595D+01
      3  -0.638124D-01  0.262265D+01 -0.247959D+01  0.179790D+01  0.278261D+01
      4   0.123216D+01  0.205916D+01 -0.489147D+00 -0.296416D+01 -0.116853D+01
      5  -0.121969D+01  0.212754D+01 -0.522474D+00  0.171820D+01  0.153437D+01
      6   0.107902D+01 -0.249405D+01 -0.732778D+00 -0.364841D+00 -0.238982D+01
               236           237           238           239           240 
      1  -0.281603D+01  0.184911D+01 -0.166744D+01  0.107947D+01 -0.145811D+01
      2   0.277884D+01 -0.717509D+00  0.102043D+01 -0.386009D+01 -0.302535D+01
      3   0.371838D-01 -0.113160D+01  0.647014D+00  0.278062D+01  0.448346D+01
      4   0.233639D+01 -0.294073D+01  0.343268D+00 -0.772307D-01  0.248087D-01
      5  -0.904117D+00  0.490454D+01 -0.161412D+00 -0.116208D+01  0.106404D+01
      6  -0.117039D+01  0.983025D+00 -0.872853D+00  0.597344D+00  0.117228D+01
               241           242           243           244           245 
      1  -0.881388D+00  0.592117D+01 -0.162741D+02  0.284234D+02 -0.215948D+01
      2  -0.309809D+01 -0.382801D+01 -0.185613D+02 -0.175308D+02  0.512429D+01
      3   0.397948D+01 -0.209316D+01  0.348354D+02 -0.108927D+02 -0.296482D+01
      4  -0.372735D+01  0.278772D+00 -0.320162D+01  0.153749D+02  0.596574D+01
      5   0.432532D+01 -0.884801D+00  0.549651D+01  0.128951D+02  0.158587D+01
      6  -0.330222D+01  0.718678D+01 -0.222410D+02  0.893160D+00  0.345606D+01
               246           247           248           249           250 
      1   0.216391D+01 -0.685472D+00  0.438629D+01  0.100664D+01 -0.165717D+01
      2  -0.321824D+01  0.179131D+01 -0.225867D+01 -0.641205D+00 -0.170154D+01
      3   0.105434D+01 -0.110584D+01 -0.212763D+01 -0.365431D+00  0.335872D+01
      4   0.315233D+01  0.165962D+01 -0.119191D-02 -0.136026D+01 -0.292981D+01
      5   0.612284D+01 -0.219839D+01 -0.792455D+00 -0.868207D+00  0.279971D+01
      6   0.318719D+01 -0.219078D+00 -0.220084D+01 -0.746279D+00  0.104228D+01
               251           252           253           254           255 
      1   0.257374D+01  0.279323D+01  0.186856D+01  0.303178D+01  0.393379D+01
      2  -0.385498D+01 -0.457892D+01 -0.440354D+01 -0.309417D+01 -0.117508D+01
      3   0.128124D+01  0.178569D+01  0.253497D+01  0.623945D-01 -0.275871D+01
      4  -0.270277D+01  0.528761D+00 -0.376076D+00 -0.869494D+00  0.129384D+01
      5  -0.920767D+00  0.173008D+01  0.186655D+01 -0.930467D+00  0.363004D+01
      6  -0.136745D+01 -0.328793D+00  0.545871D+00 -0.169141D+01 -0.200230D+01
               256           257           258           259           260 
      1   0.916013D+00 -0.147521D+01  0.218350D+00 -0.319324D+00 -0.451065D+01
      2  -0.367941D+00 -0.155109D+01  0.348320D+01 -0.416663D+01  0.410841D+01
      3  -0.548072D+00  0.302630D+01 -0.370154D+01  0.448595D+01  0.402245D+00
      4  -0.126404D+01 -0.103199D+01  0.770296D-01  0.309960D+01  0.265286D+01
      5  -0.150871D+01 -0.837007D+00 -0.209070D+01  0.622881D+01  0.127396D+01
      6  -0.114524D+01  0.955641D+00  0.244562D+01  0.369347D+01  0.527688D+01
               261           262           263           264           265 
      1  -0.143402D+02  0.211968D+02  0.844851D+01 -0.202375D+01  0.129087D+02
      2  -0.204971D+02 -0.115881D+02 -0.569492D+01  0.263086D+01 -0.827492D+01
      3   0.348373D+02 -0.960862D+01 -0.275358D+01 -0.607112D+00 -0.463383D+01
      4   0.144764D+01  0.939856D+01  0.979277D+01 -0.212384D+01  0.641761D+01
      5   0.136065D+02 -0.681639D+01 -0.335411D+01  0.471678D+01 -0.858965D+01
      6   0.184124D+02 -0.354021D+01 -0.351057D+01  0.980222D+00 -0.293507D+01
               266           267           268           269           270 
      1   0.704186D+01 -0.269983D+01  0.506905D+01  0.809130D+00  0.557423D+00
      2  -0.365947D+01  0.363201D+01 -0.161520D+01  0.236259D+00 -0.237332D+01
      3  -0.338239D+01 -0.932174D+00 -0.345384D+01 -0.104539D+01  0.181589D+01
      4   0.120474D+02 -0.214506D+00 -0.291671D+01  0.253188D+01  0.342277D+01
      5  -0.207790D+01  0.504563D+01  0.130930D+01  0.297904D+01 -0.120574D+01
      6  -0.486993D+01  0.687809D+00  0.100717D+01  0.117745D+00 -0.130868D+01
               271           272           273           274           275 
      1  -0.184475D+01  0.572543D+00 -0.353668D+01  0.127357D+01 -0.146139D+01
      2  -0.630460D+00 -0.108065D+00 -0.911713D+00 -0.140002D+01 -0.161887D+01
      3   0.247521D+01 -0.464478D+00  0.444840D+01  0.126456D+00  0.308026D+01
      4   0.406352D+01 -0.272674D+00 -0.718662D+00  0.197345D+01 -0.669958D+00
      5   0.655713D+00 -0.133309D+01  0.122006D+01 -0.144235D+01 -0.240310D+01
      6  -0.340653D+00 -0.463989D+00  0.106290D+01 -0.125759D+01  0.923124D+00
               276           277           278           279           280 
      1  -0.821879D+00 -0.175383D+01  0.214642D+00 -0.152318D+02 -0.436237D+01
      2   0.206213D+01  0.554932D+01  0.217481D+01 -0.196152D+02  0.692197D+01
      3  -0.124025D+01 -0.379549D+01 -0.238945D+01  0.348470D+02 -0.255961D+01
      4  -0.257271D+01  0.212301D+01 -0.448356D+01  0.258685D+01  0.869947D+01
      5   0.112977D+01  0.827708D+01  0.101041D+01 -0.219990D+02 -0.389912D+01
      6   0.487392D+01 -0.139913D+01  0.323108D+01  0.636813D+01 -0.106663D+01
               281           282           283           284           285 
      1  -0.839764D+01  0.309624D+01 -0.683798D+01 -0.155858D+02  0.350258D+01
      2   0.121624D+02 -0.227189D+01  0.867057D+01  0.260610D+02 -0.277282D+01
      3  -0.376474D+01 -0.824352D+00 -0.183260D+01 -0.104752D+02 -0.729765D+00
      4   0.392404D+01  0.846596D+00  0.815720D+01  0.639404D+01 -0.135329D+01
      5  -0.193071D+01 -0.505630D-01 -0.321495D+01 -0.328477D+01  0.361330D+00
      6  -0.809635D+01  0.440850D+01 -0.298643D+01 -0.870405D+01  0.539174D+01
               286           287           288           289           290 
      1  -0.366836D+00 -0.830490D+00 -0.319425D+01 -0.121191D+01 -0.181426D+01
      2   0.950411D+00  0.440426D+01  0.140165D+01 -0.190322D+01  0.159820D+01
      3  -0.583575D+00 -0.357377D+01  0.179260D+01  0.311513D+01  0.216063D+00
      4   0.287526D+01 -0.332210D+01  0.292439D+01 -0.729342D+00  0.924751D+00
      5  -0.398839D+00  0.778563D+00 -0.114284D+01  0.135647D+01 -0.823479D+00
      6   0.274490D+01  0.178115D+01 -0.132632D+01 -0.183363D+01 -0.192965D+01
               291           292           293           294           295 
      1   0.277582D+01  0.414482D-01 -0.194336D+01 -0.400200D+00  0.265675D+01
      2  -0.935894D+00  0.345398D+00 -0.502548D+00 -0.381511D+01 -0.742688D+00
      3  -0.183993D+01 -0.386846D+00  0.244591D+01  0.421532D+01 -0.191406D+01
      4  -0.205064D+01 -0.982127D+00  0.415574D+01 -0.631008D+00 -0.444479D+01
      5   0.451717D+01 -0.599485D-01 -0.568327D+00  0.148648D+01  0.335593D+01
      6   0.159318D+01 -0.170303D+01  0.159568D+00  0.158095D+01  0.392016D+00
               296           297           298           299           300 
      1   0.528968D+01 -0.202284D+02 -0.308378D+01  0.361165D+01  0.251267D+00
      2  -0.118715D+01 -0.145944D+02  0.481045D+01 -0.371021D+01  0.238047D+00
      3  -0.410253D+01  0.348228D+02 -0.172667D+01  0.985631D-01 -0.489315D+00
      4   0.243081D+01  0.194707D+01 -0.185164D+01  0.522203D+00 -0.179711D+01
      5  -0.204515D+01  0.913227D+01 -0.249892D+01 -0.144208D+00 -0.924589D+00
      6   0.816714D+01 -0.210241D+02 -0.795296D+00 -0.401506D+01 -0.178540D+01
               301           302           303           304           305 
      1   0.582030D+01 -0.197994D+02 -0.395902D+01 -0.287516D+01 -0.135079D+01
      2  -0.403130D+01  0.310476D+02  0.297219D+01  0.203909D+01 -0.214038D+01
      3  -0.178900D+01 -0.112482D+02  0.986836D+00  0.836067D+00  0.349117D+01
      4   0.529455D+01  0.987865D+01  0.213495D+01 -0.304650D+01 -0.327020D+01
      5   0.300663D+01 -0.377098D+00  0.226427D+01 -0.130952D+01  0.500756D+00
      6   0.207665D+00  0.126876D+02  0.631604D+01 -0.146536D+01  0.272722D+01
               306           307           308           309           310 
      1  -0.459084D+01 -0.944886D+00  0.409434D+00  0.356633D+01 -0.233481D+01
      2   0.278351D+01 -0.212196D+01  0.624114D-01 -0.257316D+00  0.220562D+01
      3   0.180732D+01  0.306684D+01 -0.471845D+00 -0.330902D+01  0.129193D+00
      4  -0.444416D+00 -0.611041D+00 -0.130329D+01  0.414173D+00 -0.155469D+01
      5  -0.538318D+00  0.136846D+01 -0.791866D+00  0.299992D+01 -0.141395D+01
      6   0.168713D+01 -0.305022D+00 -0.193017D+01 -0.216366D+01 -0.143595D+01
               311           312           313           314           315 
      1  -0.449785D+01 -0.944477D+00  0.388180D+01 -0.440219D+01 -0.207567D+02
      2   0.201729D+01  0.418917D+01 -0.370043D+01 -0.682363D-01 -0.140844D+02
      3   0.248056D+01 -0.324469D+01 -0.181363D+00  0.447043D+01  0.348411D+02
      4  -0.156103D+01  0.658206D+00  0.331879D+01  0.295804D+01  0.593707D+00
      5  -0.899605D-02 -0.209929D+01  0.465688D+01  0.347767D+01  0.165011D+02
      6   0.150536D+01  0.307206D+01  0.107174D+01  0.683843D+01  0.158433D+02
               316           317           318           319           320 
      1   0.617905D+01 -0.322823D+01  0.796462D+00 -0.911379D+01  0.521879D+00
      2  -0.933485D-01 -0.636529D+00 -0.582126D+00  0.335927D+01  0.641140D+01
      3  -0.608570D+01  0.386476D+01 -0.214336D+00  0.575452D+01 -0.693328D+01
      4  -0.884755D+01  0.105668D+02  0.200031D+01  0.106666D+02 -0.215702D+02
      5  -0.115999D+01  0.221765D+01  0.198055D+01  0.729989D+01 -0.377472D+01
      6   0.205532D+01 -0.321246D+01 -0.153617D+01 -0.464436D+01  0.908774D+01
               321           322           323           324           325 
      1   0.144776D+01  0.610214D+01 -0.137681D+01 -0.228647D+01 -0.409481D+01
      2  -0.252960D+01 -0.329591D+01 -0.908781D+00  0.482243D+00  0.140653D+01
      3   0.108184D+01 -0.280623D+01  0.228559D+01  0.180423D+01  0.268828D+01
      4  -0.336744D+01  0.475079D+00  0.202749D+01 -0.344451D+01 -0.119513D+01
      5  -0.557887D+01 -0.288916D+00 -0.279798D+01 -0.585781D+00  0.926790D+00
      6   0.339220D+01 -0.839020D+00  0.167374D+01  0.165570D+01 -0.869155D+00
               326           327           328           329           330 
      1   0.600247D+00 -0.298507D+01  0.178492D+01 -0.147394D+01 -0.299454D+00
      2  -0.123196D+01 -0.160921D+01 -0.180876D+01 -0.139892D+01  0.845197D+00
      3   0.631714D+00  0.459428D+01  0.238392D-01  0.287285D+01 -0.545743D+00
      4   0.691769D+00  0.237652D+00  0.299810D+01 -0.841426D+00 -0.316928D+01
      5  -0.389325D+00  0.966975D+00 -0.579726D+00 -0.276292D+01  0.466525D+00
      6  -0.555114D+00  0.546519D+00 -0.132715D+01  0.100492D+01  0.510929D+01
               331           332           333 
      1  -0.342999D+01 -0.257074D+01 -0.177040D+02
      2   0.601914D+01 -0.110439D+01 -0.171356D+02
      3  -0.258915D+01  0.367513D+01  0.348396D+02
      4  -0.479447D+00 -0.398448D+01 -0.338457D+01
      5   0.767606D+01 -0.285899D+01 -0.227547D+02
      6  -0.442082D+00  0.383783D+01  0.255711D+01
 Leave Link  716 at Fri Jul  9 04:18:59 2021, MaxMem= 10737418240 cpu:               1.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.151756D+03 -0.183030D-02 -0.436249D-02
      2  -0.183030D-02  0.151737D+03 -0.152005D-02
      3  -0.436249D-02 -0.152005D-02  0.126050D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.116152D+01  0.133236D-01 -0.322473D-01
      2  -0.187246D-01 -0.114956D+01  0.185516D-01
      3   0.742621D-01 -0.347493D-01 -0.348312D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.571478D+02  0.854481D+02 -0.302967D-02
      2  -0.571659D+02 -0.854346D+02 -0.880892D-02
      3   0.181099D-01 -0.135387D-01  0.118386D-01
      4   0.854884D+02 -0.572107D+02 -0.219448D-02
      5  -0.110831D-01  0.572226D+01 -0.484786D-02
      6  -0.572015D+01 -0.286754D-01 -0.362528D-02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.266720D+01 -0.102301D+01 -0.255412D+01 -0.118391D+01 -0.289505D+01
      2  -0.102301D+01 -0.482144D+01  0.108338D+01 -0.289505D+01  0.593198D+01
      3  -0.255412D+01  0.108338D+01  0.815875D+00  0.334036D+00 -0.340935D+01
                 6             7             8             9            10 
      1   0.334036D+00 -0.192386D+01  0.552873D+00  0.890503D+00 -0.138716D+01
      2  -0.340935D+01  0.552873D+00 -0.287639D+01  0.822285D+00  0.353025D+01
      3   0.575107D+00  0.890503D+00  0.822285D+00  0.756937D+00  0.318121D+01
                11            12            13            14            15 
      1   0.353025D+01  0.318121D+01  0.263209D+01  0.347638D+01  0.429012D+00
      2   0.519621D+01  0.117844D+01  0.347638D+01  0.900303D+00  0.279156D+01
      3   0.117844D+01 -0.532940D+00  0.429012D+00  0.279156D+01  0.823480D+00
                16            17            18            19            20 
      1   0.247798D+01  0.761614D+00 -0.492484D+00  0.837101D+00 -0.198203D+01
      2   0.761614D+00  0.235980D+01  0.112745D+01 -0.198203D+01 -0.244964D+01
      3  -0.492484D+00  0.112745D+01 -0.725541D+00 -0.175977D+01 -0.707001D+00
                21            22            23            24            25 
      1  -0.175977D+01 -0.327482D+01 -0.484817D+01 -0.185061D+01 -0.217938D+01
      2  -0.707001D+00 -0.484817D+01 -0.501048D+01 -0.417918D+01 -0.119158D+01
      3  -0.105597D+01 -0.185061D+01 -0.417918D+01 -0.178797D+01 -0.137582D+01
                26            27            28            29            30 
      1  -0.119158D+01 -0.137582D+01 -0.916741D+00 -0.146961D+01  0.265260D-01
      2  -0.254877D+01 -0.157318D+01 -0.146961D+01  0.105768D+01 -0.179005D+01
      3  -0.157318D+01  0.156834D+01  0.265260D-01 -0.179005D+01  0.377770D-01
                31            32            33            34            35 
      1  -0.150200D+01  0.103569D+01  0.179260D+01  0.942602D-01 -0.235205D-01
      2   0.103569D+01  0.142881D+01  0.342377D-01 -0.235205D-01  0.115297D+00
      3   0.179260D+01  0.342377D-01 -0.217443D-01  0.212772D-01 -0.313522D-01
                36            37            38            39            40 
      1   0.212772D-01 -0.168860D+01  0.897233D+00  0.117905D+01  0.614835D+00
      2  -0.313522D-01  0.897233D+00 -0.117736D+00  0.577497D+00  0.266791D+01
      3   0.567737D-01  0.117905D+01  0.577497D+00  0.249247D+00 -0.602918D+00
                41            42            43            44            45 
      1   0.266791D+01 -0.602918D+00  0.137207D+01 -0.675537D+00  0.648290D+00
      2  -0.875863D+01  0.468458D+01 -0.675537D+00  0.326846D+01 -0.192660D+01
      3   0.468458D+01 -0.201948D+01  0.648290D+00 -0.192660D+01 -0.161292D+01
                46            47            48            49            50 
      1   0.342667D+01  0.454455D+01  0.381090D+01  0.234140D+01  0.291352D+01
      2   0.454455D+01  0.454008D+01  0.211053D+01  0.291352D+01  0.246615D+00
      3   0.381090D+01  0.211053D+01  0.161798D+01  0.950534D+00  0.208343D+01
                51            52            53            54            55 
      1   0.950534D+00  0.218570D+01  0.118665D+01  0.137037D+01  0.555720D+00
      2   0.208343D+01  0.118665D+01  0.245636D+01  0.155969D+01 -0.254721D+01
      3   0.125030D+01  0.137037D+01  0.155969D+01 -0.158717D+01 -0.259262D+01
                56            57            58            59            60 
      1  -0.254721D+01 -0.259262D+01 -0.421342D+01 -0.463801D+01 -0.109809D+01
      2  -0.351558D+01 -0.339970D+00 -0.463801D+01 -0.101003D+00 -0.337214D+01
      3  -0.339970D+00 -0.860172D+00 -0.109809D+01 -0.337214D+01  0.426104D+00
                61            62            63            64            65 
      1  -0.217069D+01 -0.708850D+00 -0.116253D+01 -0.708621D+01  0.160396D+01
      2  -0.708850D+00 -0.266639D+01  0.357796D+00  0.160396D+01  0.207724D+01
      3  -0.116253D+01  0.357796D+00  0.735027D+00  0.357843D+01 -0.202866D+00
                66            67            68            69            70 
      1   0.357843D+01  0.354500D+01  0.218999D+01 -0.955654D+00  0.305124D+01
      2  -0.202866D+00  0.218999D+01 -0.201972D+01  0.237349D+01 -0.404433D+00
      3  -0.478382D+00 -0.955654D+00  0.237349D+01 -0.877597D+00 -0.713040D+00
                71            72            73            74            75 
      1  -0.404433D+00 -0.713040D+00  0.924731D+01 -0.123306D+01 -0.467191D+01
      2   0.180698D+01 -0.988278D+00 -0.123306D+01 -0.130612D+01  0.146122D+00
      3  -0.988278D+00 -0.746756D+00 -0.467191D+01  0.146122D+00  0.206289D+01
                76            77            78            79            80 
      1   0.148842D+01 -0.124224D+01 -0.987396D+00 -0.347784D+01  0.405272D+00
      2  -0.124224D+01  0.125167D+01 -0.123976D+01  0.405272D+00 -0.125630D+01
      3  -0.987396D+00 -0.123976D+01 -0.140863D-01  0.201914D+01 -0.407245D+00
                81            82            83            84            85 
      1   0.201914D+01 -0.350202D+00  0.155714D+01 -0.247831D+01  0.146410D+00
      2  -0.407245D+00  0.155714D+01 -0.603647D+01  0.226809D+01 -0.370191D+01
      3   0.158029D+01 -0.247831D+01  0.226809D+01 -0.101903D+01  0.112698D+01
                86            87            88            89            90 
      1  -0.370191D+01  0.112698D+01 -0.143743D+01  0.752145D+00 -0.673445D+00
      2   0.544651D+01 -0.346131D+01  0.752145D+00 -0.330212D+01  0.196306D+01
      3  -0.346131D+01  0.179635D+01 -0.673445D+00  0.196306D+01  0.157625D+01
                91            92            93            94            95 
      1  -0.175411D+01  0.146264D+01  0.218443D+01  0.392152D+00  0.452358D+01
      2   0.146264D+01  0.284488D+01  0.157668D+00  0.452358D+01 -0.551636D+01
      3   0.218443D+01  0.157668D+00  0.985490D+00 -0.614339D+00  0.379797D+01
                96            97            98            99           100 
      1  -0.614339D+00  0.170187D+01 -0.318339D+00  0.121016D+01  0.683859D+01
      2   0.379797D+01 -0.318339D+00  0.307321D+01 -0.125599D+00 -0.331598D+01
      3   0.397171D-01  0.121016D+01 -0.125599D+00 -0.788447D+00 -0.379558D+01
               101           102           103           104           105 
      1  -0.331598D+01 -0.379558D+01 -0.156074D+01 -0.244038D+01 -0.360228D+00
      2  -0.157554D+01  0.381671D+00 -0.244038D+01  0.102102D+01 -0.215247D+01
      3   0.381671D+00  0.788682D-01 -0.360228D+00 -0.215247D+01 -0.984412D+00
               106           107           108           109           110 
      1  -0.312635D+01  0.130491D+00  0.265376D+00 -0.702222D+01  0.293811D+01
      2   0.130491D+00 -0.165654D+01 -0.118157D+01  0.293811D+01  0.718838D+00
      3   0.265376D+00 -0.118157D+01  0.799546D+00  0.385921D+01 -0.934924D+00
               111           112           113           114           115 
      1   0.385921D+01  0.542428D+01 -0.353690D+00 -0.207976D+01  0.338090D+01
      2  -0.934924D+00 -0.353690D+00  0.154451D+00  0.203742D+01 -0.459852D+00
      3  -0.190147D+01 -0.207976D+01  0.203742D+01  0.784434D+00 -0.200211D+01
               116           117           118           119           120 
      1  -0.459852D+00 -0.200211D+01  0.110254D+02  0.105045D+00 -0.297523D+01
      2   0.122879D+01  0.410269D+00  0.105045D+00  0.100293D+01  0.242158D-01
      3   0.410269D+00 -0.162156D+01 -0.297523D+01  0.242158D-01  0.204997D+01
               121           122           123           124           125 
      1  -0.216461D+01  0.111783D+01  0.818267D+00 -0.299742D+01  0.397225D-02
      2   0.111783D+01  0.103752D+00 -0.729979D+00  0.397225D-02 -0.486735D+00
      3   0.818267D+00 -0.729979D+00 -0.260536D+00  0.244598D+01  0.169854D+00
               126           127           128           129           130 
      1   0.244598D+01  0.121193D+00  0.621201D+00 -0.872825D+00  0.114076D+01
      2   0.169854D+00  0.621201D+00 -0.673097D+00  0.233800D+00  0.465086D+00
      3  -0.146450D+01 -0.872825D+00  0.233800D+00 -0.358243D+00 -0.185494D+00
               131           132           133           134           135 
      1   0.465086D+00 -0.185494D+00 -0.132728D+01 -0.358071D+00  0.398280D+00
      2   0.463714D+01 -0.216953D+01 -0.358071D+00 -0.179994D+01  0.167974D+01
      3  -0.216953D+01  0.227514D+01  0.398280D+00  0.167974D+01 -0.215539D+01
               136           137           138           139           140 
      1   0.567209D+01  0.295896D+01  0.172708D+01  0.474349D+01  0.403630D+01
      2   0.295896D+01  0.253522D+01  0.785225D+00  0.403630D+01  0.425519D+01
      3   0.172708D+01  0.785225D+00  0.145538D+01  0.159160D+01  0.197222D+01
               141           142           143           144           145 
      1   0.159160D+01  0.208631D+01  0.122615D+01  0.204995D+01  0.206694D+01
      2   0.197222D+01  0.122615D+01  0.143531D+01  0.135998D+01 -0.916613D+00
      3   0.145051D+01  0.204995D+01  0.135998D+01  0.148956D+01  0.133867D+01
               146           147           148           149           150 
      1  -0.916613D+00  0.133867D+01 -0.202790D+01  0.157961D+01 -0.821881D+00
      2   0.984677D+00 -0.403636D+00  0.157961D+01 -0.288463D+01  0.171411D+01
      3  -0.403636D+00  0.109707D+01 -0.821881D+00  0.171411D+01 -0.202059D+01
               151           152           153           154           155 
      1   0.187439D+01 -0.322498D+00  0.133928D+01 -0.218179D+01  0.180586D+01
      2  -0.322498D+00  0.128239D+01 -0.109464D+01  0.180586D+01 -0.194794D+01
      3   0.133928D+01 -0.109464D+01  0.216125D+01 -0.921423D+00  0.346575D+00
               156           157           158           159           160 
      1  -0.921423D+00  0.288346D+01 -0.403292D+01  0.116334D+01 -0.111373D+01
      2   0.346575D+00 -0.403292D+01  0.859712D+01 -0.278630D+01  0.108470D+01
      3  -0.786660D+00  0.116334D+01 -0.278630D+01  0.190852D+01 -0.136771D+01
               161           162           163           164           165 
      1   0.108470D+01 -0.136771D+01 -0.363175D+01 -0.787417D+00 -0.181915D+01
      2  -0.237386D+01  0.203339D+01 -0.787417D+00 -0.108602D+01 -0.368060D+00
      3   0.203339D+01 -0.146466D+01 -0.181915D+01 -0.368060D+00 -0.180909D+01
               166           167           168           169           170 
      1  -0.205011D+01 -0.121403D+01 -0.787421D+00 -0.197169D+01 -0.234416D-01
      2  -0.121403D+01 -0.133466D+01 -0.122563D+01 -0.234416D-01 -0.112742D+01
      3  -0.787421D+00 -0.122563D+01 -0.146470D+01 -0.165295D+01 -0.491269D+00
               171           172           173           174           175 
      1  -0.165295D+01 -0.977219D+01  0.335301D+01  0.294346D+01  0.120516D+01
      2  -0.491269D+00  0.335301D+01 -0.214069D+01 -0.892906D+00 -0.137238D+01
      3  -0.212407D+01  0.294346D+01 -0.892906D+00 -0.199441D+01 -0.905015D-01
               176           177           178           179           180 
      1  -0.137238D+01 -0.905015D-01  0.262616D+01 -0.876743D+00 -0.219240D+01
      2   0.149964D+01  0.756492D+00 -0.876743D+00  0.846457D+00  0.109247D+01
      3   0.756492D+00  0.540998D+00 -0.219240D+01  0.109247D+01  0.145821D+01
               181           182           183           184           185 
      1   0.885321D+00  0.102181D+01  0.107790D+01  0.107055D+01  0.557199D+00
      2   0.102181D+01  0.181710D+01  0.690578D+00  0.557199D+00  0.408486D+01
      3   0.107790D+01  0.690578D+00  0.121515D+01  0.268350D+00  0.196224D+01
               186           187           188           189           190 
      1   0.268350D+00  0.114239D+01 -0.946376D-01  0.273461D+00 -0.294852D+01
      2   0.196224D+01 -0.946376D-01  0.198093D+01  0.170018D+01 -0.348177D+01
      3   0.197470D+01  0.273461D+00  0.170018D+01  0.213035D+01 -0.166094D+01
               191           192           193           194           195 
      1  -0.348177D+01 -0.166094D+01 -0.223491D+01 -0.293587D+01 -0.776575D+00
      2  -0.487439D+01 -0.158449D+01 -0.293587D+01 -0.710638D+01 -0.204462D+01
      3  -0.158449D+01 -0.124806D+01 -0.776575D+00 -0.204462D+01 -0.163194D+01
               196           197           198           199           200 
      1  -0.113605D+01 -0.110866D+01 -0.108733D+01  0.341406D+01 -0.153339D+01
      2  -0.110866D+01 -0.240619D+01 -0.221322D+01 -0.153339D+01  0.186293D+01
      3  -0.108733D+01 -0.221322D+01 -0.149654D+01 -0.186568D+01  0.758577D+00
               201           202           203           204           205 
      1  -0.186568D+01 -0.791696D+00  0.846011D+00  0.337703D+00 -0.136547D+01
      2   0.758577D+00  0.846011D+00 -0.160463D+01 -0.116891D+01  0.384088D+00
      3   0.214882D+01  0.337703D+00 -0.116891D+01 -0.830607D+00  0.125267D+01
               206           207           208           209           210 
      1   0.384088D+00  0.125267D+01  0.372300D+00 -0.151765D+01  0.882886D+00
      2  -0.174539D+01 -0.119024D+01 -0.151765D+01  0.326878D+01 -0.110200D+01
      3  -0.119024D+01 -0.215390D+01  0.882886D+00 -0.110200D+01  0.527354D+00
               211           212           213           214           215 
      1  -0.110364D+01  0.100317D+01 -0.298333D+00  0.530656D+00 -0.325292D+00
      2   0.100317D+01 -0.105590D+02  0.282505D+01 -0.325292D+00  0.294553D+01
      3  -0.298333D+00  0.282505D+01 -0.199881D+01  0.150853D+00 -0.244435D+01
               216           217           218           219           220 
      1   0.150853D+00 -0.452349D+01 -0.830554D+00  0.215387D+01  0.237352D+00
      2  -0.244435D+01 -0.830554D+00 -0.126679D+01  0.350662D+00 -0.606223D+00
      3   0.146161D+01  0.215387D+01  0.350662D+00 -0.230340D+01 -0.690391D-01
               221           222           223           224           225 
      1  -0.606223D+00 -0.690391D-01  0.169951D+01  0.408486D+00 -0.161302D+01
      2  -0.442353D+00  0.887624D+00  0.408486D+00  0.142987D+01 -0.614591D+00
      3   0.887624D+00  0.605808D-01 -0.161302D+01 -0.614591D+00  0.215368D+01
               226           227           228           229           230 
      1   0.509827D+01 -0.165874D+01  0.759473D+00 -0.183161D+01  0.950695D+00
      2  -0.165874D+01  0.311728D+01 -0.114791D+01  0.950695D+00 -0.412438D+00
      3   0.759473D+00 -0.114791D+01  0.127925D+01 -0.159657D+00 -0.568743D+00
               231           232           233           234           235 
      1  -0.159657D+00  0.344525D-02  0.102213D+00  0.560887D+00  0.602199D+00
      2  -0.568743D+00  0.102213D+00 -0.184169D+01  0.451731D+00 -0.362163D+00
      3  -0.940939D-01  0.560887D+00  0.451731D+00  0.213726D+00  0.682121D+00
               236           237           238           239           240 
      1  -0.362163D+00  0.682121D+00 -0.435756D+00 -0.429129D+00  0.225728D+00
      2  -0.923801D+00  0.291346D+00 -0.429129D+00  0.133822D+01 -0.152397D+00
      3   0.291346D+00 -0.185382D+00  0.225728D+00 -0.152397D+00  0.676991D+00
               241           242           243           244           245 
      1   0.975095D+00 -0.583277D-01  0.941532D+00 -0.640147D+01 -0.499100D+00
      2  -0.583277D-01  0.191556D+01 -0.106433D+01 -0.499100D+00 -0.204395D+01
      3   0.941532D+00 -0.106433D+01  0.701721D+01 -0.102323D+01 -0.488240D+00
               246           247           248           249           250 
      1  -0.102323D+01  0.158773D+00  0.256299D-01  0.501475D+00  0.331456D+00
      2  -0.488240D+00  0.256299D-01  0.890407D+00  0.833248D+00  0.721992D+00
      3  -0.121754D+01  0.501475D+00  0.833248D+00  0.402242D+00 -0.347924D+00
               251           252           253           254           255 
      1   0.721992D+00 -0.347924D+00 -0.533863D+00  0.620648D+00 -0.373512D+00
      2   0.149027D+01  0.628911D+00  0.620648D+00  0.117400D+01  0.511216D+00
      3   0.628911D+00 -0.211952D+00 -0.373512D+00  0.511216D+00  0.430997D+00
               256           257           258           259           260 
      1   0.365007D+00  0.755724D+00  0.447598D+00 -0.115500D+01 -0.372298D+00
      2   0.755724D+00  0.348969D+00 -0.149322D+00 -0.372298D+00 -0.173609D+01
      3   0.447598D+00 -0.149322D+00  0.554549D+00 -0.127863D+01 -0.620579D+00
               261           262           263           264           265 
      1  -0.127863D+01 -0.391553D+01 -0.178045D+01  0.337909D+00 -0.356239D+01
      2  -0.620579D+00 -0.178045D+01 -0.214388D+01  0.404337D+00 -0.924168D+00
      3  -0.701642D+01  0.337909D+00  0.404337D+00 -0.723324D+00  0.139190D+01
               266           267           268           269           270 
      1  -0.924168D+00  0.139190D+01 -0.145976D+01  0.744861D+00  0.105835D+00
      2  -0.241204D+01 -0.132000D+00  0.744861D+00 -0.366339D+00 -0.710025D+00
      3  -0.132000D+00 -0.105867D+01  0.105835D+00 -0.710025D+00  0.221023D+00
               271           272           273           274           275 
      1   0.121534D+01 -0.894997D+00 -0.170135D+00 -0.435250D+00 -0.456979D+00
      2  -0.894997D+00 -0.274660D+00  0.265477D+00 -0.456979D+00  0.265860D+00
      3  -0.170135D+00  0.265477D+00  0.680879D+00  0.197897D+00  0.699543D+00
               276           277           278           279           280 
      1   0.197897D+00  0.172995D+01 -0.377576D+00 -0.139082D+01  0.194844D+01
      2   0.699543D+00 -0.377576D+00  0.115936D+01 -0.280493D+00  0.534012D+00
      3  -0.173143D+00 -0.139082D+01 -0.280493D+00  0.701892D+01  0.364648D+00
               281           282           283           284           285 
      1   0.534012D+00  0.364648D+00  0.198787D+01  0.158396D+01 -0.313874D+00
      2   0.320522D+01 -0.129908D+01  0.158396D+01  0.478684D+01 -0.548813D+00
      3  -0.129908D+01  0.953619D+00 -0.313874D+00 -0.548813D+00  0.850685D+00
               286           287           288           289           290 
      1   0.585468D+00 -0.855114D+00  0.717659D+00 -0.366783D+00  0.208838D+00
      2  -0.855114D+00  0.126434D+01 -0.150551D-01  0.208838D+00  0.665165D+00
      3   0.717659D+00 -0.150551D-01 -0.212687D+00 -0.622866D+00 -0.306079D+00
               291           292           293           294           295 
      1  -0.622866D+00 -0.279643D-01  0.109328D+01 -0.370010D+00 -0.126912D+01
      2  -0.306079D+00  0.109328D+01 -0.876441D+00  0.949380D-01  0.437907D+00
      3   0.268321D+00 -0.370010D+00  0.949380D-01 -0.644977D+00  0.105569D+00
               296           297           298           299           300 
      1   0.437907D+00  0.105569D+00 -0.113588D+01 -0.105943D+00 -0.793141D+00
      2  -0.162631D+01  0.142284D+01 -0.105943D+00 -0.101736D+01 -0.741563D+00
      3   0.142284D+01 -0.701780D+01 -0.793141D+00 -0.741563D+00 -0.554749D+00
               301           302           303           304           305 
      1   0.185992D+01 -0.948476D-01  0.246277D+00 -0.128289D+01 -0.852315D+00
      2  -0.948476D-01  0.637808D+01  0.996403D+00 -0.852315D+00 -0.532200D+00
      3   0.246277D+00  0.996403D+00  0.115505D+01 -0.670259D+00  0.258519D+00
               306           307           308           309           310 
      1  -0.670259D+00 -0.201981D-01 -0.610354D+00  0.278506D+00 -0.995827D+00
      2   0.258519D+00 -0.610354D+00 -0.596877D+00 -0.456540D+00 -0.905638D+00
      3   0.217146D+00  0.278506D+00 -0.456540D+00 -0.491721D+00 -0.522527D+00
               311           312           313           314           315 
      1  -0.905638D+00 -0.522527D+00  0.162970D+01  0.435412D+00  0.449489D+00
      2   0.268091D+00  0.247937D+00  0.435412D+00  0.126077D+01  0.134163D+01
      3   0.247937D+00 -0.504780D+00  0.449489D+00  0.134163D+01  0.701644D+01
               316           317           318           319           320 
      1   0.115463D+01 -0.132979D+01  0.375153D+00 -0.345222D+01  0.170115D+01
      2  -0.132979D+01  0.216536D+01  0.308951D+00  0.170115D+01 -0.438365D+01
      3   0.375153D+00  0.308951D+00  0.262408D+00  0.129505D+01 -0.567308D+00
               321           322           323           324           325 
      1   0.129505D+01  0.182971D+01  0.134304D+00 -0.372831D+00 -0.151205D+01
      2  -0.567308D+00  0.134304D+00  0.651460D-02 -0.612775D+00  0.116584D+00
      3  -0.125355D+01 -0.372831D+00 -0.612775D+00 -0.213801D+00  0.209001D+00
               326           327           328           329           330 
      1   0.116584D+00  0.209001D+00  0.611807D+00  0.568912D+00 -0.174045D+00
      2   0.578386D+00 -0.109053D+00  0.568912D+00 -0.413165D+00 -0.734707D+00
      3  -0.109053D+00 -0.696809D+00 -0.174045D+00 -0.734707D+00  0.962023D-01
               331           332           333 
      1  -0.191430D+01 -0.660420D-01  0.117675D+01
      2  -0.660420D-01 -0.977518D+00 -0.794403D+00
      3   0.117675D+01 -0.794403D+00 -0.701818D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.106233D+02 -0.673148D+01  0.533638D+01 -0.538941D+01 -0.210050D+01
      2   0.501846D+00  0.283118D+01  0.314365D+01  0.167924D+01  0.258081D+01
      3  -0.854170D+01  0.282097D+01  0.866343D+01  0.600607D+01  0.909986D+01
                 6             7             8             9            10 
      1  -0.820571D+01  0.210534D+00 -0.284181D+01  0.168326D+01  0.435019D+01
      2   0.766479D+00  0.372046D+00  0.878409D-02 -0.102943D+01 -0.270692D+01
      3   0.113732D+01  0.943221D+01  0.230699D+01 -0.361687D+01  0.914327D+01
                11            12            13            14            15 
      1  -0.797476D+01 -0.650973D+01 -0.626317D+01  0.850465D+01 -0.599895D+01
      2   0.171433D+01  0.549587D+01  0.228057D+01  0.633516D+00  0.388191D+00
      3  -0.461194D+01 -0.753110D+01 -0.147081D+01 -0.960044D+01  0.441871D+01
                16            17            18            19            20 
      1  -0.106540D+01 -0.229827D+01 -0.186559D+01 -0.247745D+00 -0.104842D+01
      2   0.789719D+00  0.818546D+00 -0.373305D+00  0.195795D+02  0.141259D+02
      3  -0.783224D+01  0.567712D+01  0.360007D+01 -0.207845D+02 -0.182033D+02
                21            22            23            24            25 
      1   0.272560D+01 -0.343197D+01 -0.177991D+02  0.257049D+00  0.112855D+02
      2   0.907891D+01  0.427380D+01 -0.129102D+01 -0.393154D+01 -0.109195D+02
      3  -0.865644D+01  0.301294D+01  0.172625D+02  0.426712D+01 -0.216040D+01
                26            27            28            29            30 
      1   0.194334D+02  0.178121D+02  0.214179D+01  0.282291D+01  0.143252D+00
      2  -0.133607D+02 -0.172838D+02  0.272233D+01 -0.211354D+01 -0.635893D+01
      3   0.303332D+01  0.465125D+00  0.199215D-01  0.863006D+01 -0.568847D-01
                31            32            33            34            35 
      1   0.294912D+01 -0.182050D+01  0.643916D+01  0.284437D+00 -0.763237D+01
      2  -0.223389D+01 -0.306718D+01  0.777138D-01  0.781556D+01  0.434736D-01
      3  -0.861801D+01 -0.113797D+00  0.160300D+00  0.221950D+00  0.406873D+00
                36            37            38            39            40 
      1  -0.667028D-01  0.487143D+01 -0.174645D+01  0.149001D+01 -0.159176D+00
      2  -0.500154D+00  0.882232D+01 -0.197419D+02  0.101635D+02 -0.961962D+01
      3  -0.150298D+00  0.993021D+01 -0.296797D+02  0.982813D+01 -0.837098D+01
                41            42            43            44            45 
      1   0.188663D+02  0.119114D+01 -0.472735D+01  0.270191D+02 -0.231212D+02
      2   0.132665D+01 -0.456284D+00 -0.343396D+01  0.657130D+01 -0.902515D+01
      3  -0.614674D+01  0.513341D+00  0.322233D+01  0.173144D+01 -0.323800D+00
                46            47            48            49            50 
      1   0.885902D+00 -0.210048D+01  0.490958D+01 -0.114920D+02 -0.216520D+02
      2   0.174888D+02  0.556224D+01  0.858615D+00  0.197025D+01 -0.166196D+01
      3  -0.186850D+02 -0.818896D+01 -0.539263D+01  0.128936D+02  0.220629D+02
                51            52            53            54            55 
      1  -0.813416D+01  0.139581D+02  0.141675D+02  0.193459D+02  0.125039D+01
      2  -0.370727D+01 -0.158663D+02 -0.118665D+02 -0.153280D+02 -0.103065D+02
      3   0.799254D+01 -0.347248D+01  0.176139D+01 -0.525327D+00  0.861859D+01
                56            57            58            59            60 
      1  -0.335685D+01 -0.363490D+00 -0.304552D+01  0.240644D+01 -0.642643D+01
      2   0.511248D+01  0.520197D+01  0.698400D+01 -0.224065D+01  0.648633D+01
      3   0.379351D+01 -0.536518D+01  0.686638D+01 -0.796905D+01  0.685906D+01
                61            62            63            64            65 
      1  -0.102513D+01 -0.109667D+01  0.116568D+00 -0.195672D+01 -0.235802D+01
      2   0.207759D+01  0.128830D+01  0.193333D+01  0.316361D+00  0.377359D+01
      3  -0.662741D+01  0.704576D+01 -0.365408D+01 -0.758534D+01 -0.809626D+01
                66            67            68            69            70 
      1  -0.150972D+01 -0.374270D+01 -0.265441D+01 -0.262930D+01 -0.384100D+00
      2   0.871914D+01  0.495314D+01  0.117628D+02 -0.457898D+01  0.285061D+01
      3  -0.205517D-01 -0.503530D+01  0.712689D+01 -0.867484D+01 -0.108032D+01
                71            72            73            74            75 
      1  -0.400373D+00  0.123936D+01 -0.224732D+01  0.102281D+02  0.161734D+01
      2   0.116425D+00 -0.152594D+01 -0.193512D+02 -0.282336D+00 -0.808050D+00
      3  -0.967169D+01  0.364181D+01  0.168349D+01  0.978199D+01  0.414649D+00
                76            77            78            79            80 
      1   0.198631D+02 -0.415582D+01 -0.960888D+01 -0.362237D+01  0.239499D+01
      2   0.245647D+01 -0.550839D+01 -0.295484D+01 -0.281561D+02  0.138115D+01
      3   0.308129D+02 -0.466078D+01 -0.960877D+01 -0.163012D+01 -0.339583D+01
                81            82            83            84            85 
      1   0.617299D+01  0.233558D+01  0.311897D+01 -0.626265D+01 -0.421992D+01
      2   0.241126D+02  0.119331D+02 -0.131897D+02  0.490416D+01 -0.622322D+01
      3   0.589515D+00  0.142955D+02 -0.230979D+02  0.793029D+01 -0.194150D+01
                86            87            88            89            90 
      1   0.223883D+02 -0.390011D+01 -0.108212D+02  0.237926D+02 -0.237826D+02
      2  -0.564074D+01  0.515779D+01 -0.667788D+01  0.889123D+01 -0.678403D+01
      3  -0.179330D+02  0.548784D+01  0.357722D+01  0.445461D+00  0.391050D+00
                91            92            93            94            95 
      1  -0.847353D+01 -0.285877D+01 -0.115552D+01 -0.322128D+01  0.282626D+00
      2  -0.108404D+02  0.519184D+00  0.282299D+01 -0.122976D+01  0.771130D+00
      3  -0.242415D+01  0.805793D+01  0.760313D+01  0.111907D+02  0.185869D+01
                96            97            98            99           100 
      1  -0.858031D+01  0.102102D+01 -0.195727D+01  0.801477D+00 -0.560465D+00
      2  -0.500551D+01  0.103114D+01 -0.123962D+01  0.203495D+01 -0.102657D+01
      3   0.432022D+01  0.874754D+01  0.390675D+01  0.362224D+01  0.839703D+00
               101           102           103           104           105 
      1  -0.482046D+00  0.418189D+01 -0.226791D+01  0.938159D+01 -0.245017D+01
      2   0.195002D+01  0.895313D+01  0.138441D+01  0.103943D+02  0.195148D+01
      3  -0.113886D+02 -0.327708D+01 -0.840291D+01 -0.343301D+00 -0.805440D+01
               106           107           108           109           110 
      1   0.115556D+01 -0.827035D+00 -0.192503D+01  0.526290D+01  0.813883D+01
      2   0.227355D+01 -0.859826D+00 -0.108025D+01 -0.219053D+02  0.276386D+01
      3  -0.271797D+01 -0.923686D+01 -0.370554D+01  0.136804D+02  0.599775D+01
               111           112           113           114           115 
      1  -0.469892D+01  0.160089D+02 -0.879337D+01 -0.650303D+01 -0.620213D+01
      2   0.240121D+01 -0.358995D+01 -0.371742D+01  0.586224D+01 -0.260750D+02
      3  -0.415238D+01  0.271826D+02 -0.105931D+02 -0.875647D+01  0.224631D+00
               116           117           118           119           120 
      1   0.424727D+01  0.371954D+01  0.150726D+01 -0.163127D+01 -0.194995D+01
      2   0.820425D+01  0.247142D+02  0.212358D+01  0.924315D+00  0.587447D+01
      3  -0.394323D+01 -0.412736D+00  0.750922D+01 -0.549031D+01 -0.306698D+01
               121           122           123           124           125 
      1  -0.252929D+00  0.107559D+01 -0.321014D+00 -0.130235D+01  0.137251D+01
      2  -0.305357D+01 -0.172166D+01  0.326754D+00  0.250188D+01 -0.258934D+00
      3  -0.211925D+01  0.182076D+01  0.231547D+01 -0.880600D+00  0.286969D+01
               126           127           128           129           130 
      1   0.721891D+00  0.716995D+00  0.996569D+00  0.733830D+00 -0.156486D+00
      2  -0.249126D+01 -0.427218D+01  0.145787D+01 -0.221710D+01  0.971715D+00
      3   0.104897D+01 -0.309869D+01  0.326595D+01 -0.197704D+01  0.272553D+01
               131           132           133           134           135 
      1  -0.305907D+01 -0.191441D+01 -0.115786D+00  0.117575D+01  0.924191D+00
      2  -0.661367D+01  0.739671D+01 -0.201860D+01  0.528289D+01 -0.624219D+01
      3  -0.146636D+02  0.690657D+01 -0.695646D+00  0.567783D+01 -0.556380D+01
               136           137           138           139           140 
      1   0.136281D+00  0.977912D+00 -0.156596D+01  0.233973D+01  0.216405D+01
      2   0.615883D+00  0.566453D+00  0.488532D+01 -0.349430D+01  0.717384D+00
      3  -0.183832D+01 -0.535352D+01 -0.995417D+00 -0.196745D+01 -0.762109D+01
               141           142           143           144           145 
      1  -0.125666D+01 -0.929426D+00  0.462176D+00 -0.992039D+00 -0.261798D+01
      2   0.316312D+01  0.155871D+01  0.252071D+01  0.253191D+01  0.307566D+01
      3  -0.370915D+01  0.103541D+01 -0.285077D+01 -0.109076D+01  0.442613D+01
               146           147           148           149           150 
      1   0.126006D+01 -0.119275D+01  0.247152D+01 -0.583433D+01  0.283241D+01
      2   0.246030D+00  0.250687D+01  0.579746D+00  0.422544D+01 -0.692340D+01
      3  -0.454966D+01  0.260842D+01 -0.512873D+01  0.132415D+02 -0.669231D+01
               151           152           153           154           155 
      1  -0.147502D+01  0.410555D+01 -0.307187D+01  0.131042D+01 -0.552212D+00
      2   0.865466D+00 -0.370520D+01  0.554092D+01  0.126382D+01 -0.775815D+00
      3   0.291497D+01 -0.495270D+01  0.557910D+01  0.141638D+00 -0.221277D+01
               156           157           158           159           160 
      1   0.214936D+01  0.222744D+01 -0.292527D+01 -0.349341D+01  0.113813D+01
      2   0.267506D+01  0.243485D+01  0.855115D+00 -0.377831D+01  0.335263D-01
      3  -0.507398D+00  0.116659D+01  0.934486D+01 -0.380866D+01 -0.206113D+01
               161           162           163           164           165 
      1  -0.107932D+01  0.179586D+01  0.519868D+01  0.184411D+01  0.398548D+01
      2  -0.272324D+01  0.187971D+01  0.955476D+00 -0.399389D+00  0.386347D+01
      3  -0.219925D+01  0.106913D+01 -0.918582D+01 -0.625138D+01 -0.500331D+01
               166           167           168           169           170 
      1   0.283577D+01  0.540725D+01  0.410424D+01  0.355100D+01  0.412345D+01
      2  -0.118833D+01  0.244381D+01  0.423339D+01  0.100317D+01  0.157853D+01
      3  -0.683665D+01 -0.856429D+01 -0.518500D+01 -0.451785D+01 -0.340853D+01
               171           172           173           174           175 
      1   0.488052D+01 -0.105133D+01 -0.211181D+01  0.357560D+01  0.686054D+00
      2   0.379303D+01  0.295467D+01 -0.194390D+01  0.425900D+01  0.118518D+01
      3  -0.554981D+01 -0.935733D+01 -0.236872D+01  0.371370D+01  0.102823D+01
               176           177           178           179           180 
      1  -0.115487D+01 -0.194503D+01  0.253143D+01  0.427109D+00 -0.160694D+01
      2  -0.157663D+01 -0.195650D+01  0.156551D+01 -0.961426D+00 -0.200352D+01
      3   0.579386D-01  0.965742D+00  0.193544D+01  0.231288D+01 -0.105107D+01
               181           182           183           184           185 
      1  -0.194363D+01  0.127815D+01 -0.319766D+01  0.398796D+00 -0.223669D-02
      2  -0.507177D+01 -0.266269D+01 -0.399113D+01 -0.178515D+01 -0.583881D+01
      3   0.684376D+01  0.653414D+01  0.447496D+01  0.600946D+01  0.108605D+02
               186           187           188           189           190 
      1  -0.372173D+01 -0.979722D+00 -0.614680D+00 -0.316951D+01 -0.861720D+00
      2  -0.498962D+01 -0.379609D+01 -0.416860D+01 -0.535754D+01 -0.181206D+01
      3   0.563571D+01  0.280621D+01  0.494294D+01  0.555871D+01  0.653287D+01
               191           192           193           194           195 
      1   0.370319D+01 -0.261641D+01 -0.468219D+00 -0.147745D+00 -0.542109D+01
      2  -0.206760D+01  0.713346D+00 -0.127137D+01 -0.626398D+00  0.101070D+01
      3   0.261920D+01  0.354257D+01  0.602317D+01  0.285300D+01  0.146340D+01
               196           197           198           199           200 
      1  -0.221298D+01 -0.194402D+01 -0.266165D+01 -0.488120D+01 -0.439045D+00
      2  -0.870375D+00  0.616882D+00  0.664016D+00  0.569278D+01 -0.205947D+01
      3   0.297053D+01 -0.672612D+00  0.109983D+01 -0.143567D+02  0.379397D+01
               201           202           203           204           205 
      1   0.751886D+01 -0.297343D+00 -0.333361D+01 -0.174500D+01  0.428336D+01
      2  -0.200483D+01 -0.795135D+00  0.179780D+01  0.602749D+00 -0.371075D+01
      3   0.696875D+01  0.319074D+01 -0.341401D+01 -0.173252D+01  0.523067D+01
               206           207           208           209           210 
      1  -0.573099D+00 -0.585066D+01  0.156996D+01  0.349815D+01  0.423330D+00
      2   0.869893D+00  0.231772D+01 -0.115240D+01  0.734878D+00  0.118669D+00
      3  -0.224483D+01 -0.555038D+01 -0.293521D+01  0.271979D+01 -0.272581D+01
               211           212           213           214           215 
      1  -0.665567D+00 -0.160712D+01 -0.607710D+01  0.791173D+00 -0.256808D+01
      2   0.157050D+01 -0.147421D+01  0.119375D+01 -0.144178D+01  0.793132D+00
      3   0.607032D+01 -0.643687D+01  0.272711D+01 -0.296860D+01  0.493514D+00
               216           217           218           219           220 
      1   0.256229D+01  0.642885D+01 -0.707982D+00 -0.783720D+01 -0.103317D+01
      2  -0.399347D+00  0.396639D+01  0.575832D+00  0.995896D+00 -0.630917D+00
      3  -0.106690D+01  0.152314D+02 -0.111185D+01 -0.711268D+01 -0.166101D+01
               221           222           223           224           225 
      1   0.405494D+01  0.126965D+01 -0.530288D+01  0.131487D+01  0.631471D+01
      2  -0.232979D+00 -0.301292D+00 -0.189117D+01  0.132663D+00 -0.114049D+00
      3   0.250097D+01  0.106170D+01 -0.572519D+01 -0.404091D-01  0.556803D+01
               226           227           228           229           230 
      1  -0.562685D+00  0.387260D+01  0.766575D+00  0.929262D+00  0.859327D+00
      2  -0.887647D+01  0.373433D+01 -0.376319D+00  0.110309D+01 -0.279202D-01
      3  -0.117246D+02  0.162121D+01 -0.208116D+01  0.189382D+01 -0.585067D+00
               231           232           233           234           235 
      1  -0.185571D+01  0.188701D+01 -0.213217D+01  0.556277D+00  0.177038D+01
      2  -0.711855D+00  0.155678D+01 -0.215895D+01 -0.191213D+00  0.175835D+00
      3  -0.449252D+00  0.199262D+01 -0.655321D+00 -0.392069D+00 -0.305718D+00
               236           237           238           239           240 
      1   0.370605D-01 -0.599180D+00  0.137285D+01  0.883685D-01  0.328301D+01
      2   0.350811D+00 -0.118666D+01  0.848076D-01 -0.216677D+01  0.173291D+01
      3  -0.539098D+00 -0.167172D+01  0.293852D+00 -0.171064D+01 -0.531153D-01
               241           242           243           244           245 
      1   0.270835D+01  0.678827D+00  0.152162D+02 -0.165523D+01  0.251839D+01
      2  -0.153396D+01 -0.151606D+01  0.414985D+01 -0.935397D+01 -0.978713D+00
      3  -0.186677D+01 -0.183957D+01 -0.161868D+01  0.113012D+02 -0.280428D+01
               246           247           248           249           250 
      1  -0.131092D+01  0.791772D+00 -0.198193D+01 -0.983173D+00 -0.149728D+01
      2   0.430914D+00  0.262682D+01  0.126106D+01  0.126967D+01  0.306356D+01
      3   0.177856D+01 -0.255101D+01  0.940745D+00 -0.121683D+01 -0.209000D+01
               251           252           253           254           255 
      1  -0.589748D+00 -0.562975D+00 -0.104564D+01 -0.146618D-01  0.101024D+01
      2   0.175183D+01  0.148522D-01  0.727412D-01 -0.121752D+01 -0.232382D+01
      3   0.161595D+00  0.404424D+00  0.439697D+00 -0.487488D-02  0.151855D+01
               256           257           258           259           260 
      1   0.130597D+01 -0.137119D+01  0.214762D+01 -0.239311D+01  0.231730D+01
      2  -0.146164D+01 -0.126436D+01 -0.215509D+01  0.110056D+00  0.119326D+01
      3   0.835043D+00  0.159192D+01 -0.680062D+00  0.101064D+01 -0.242098D+01
               261           262           263           264           265 
      1  -0.124549D+02 -0.298496D+01 -0.301376D+01  0.654342D+00 -0.387723D+01
      2   0.964343D+01  0.356846D+01  0.210763D+01  0.186605D+01  0.598084D+01
      3   0.162895D+01 -0.491933D+01 -0.579318D+01  0.695970D+00 -0.558794D+01
               266           267           268           269           270 
      1  -0.488354D+01  0.483070D+00 -0.910258D+00  0.744927D-01 -0.434076D+00
      2   0.659606D+00 -0.557247D+00  0.369043D+01  0.661504D+00 -0.355028D+00
      3  -0.739445D+01  0.204284D+01 -0.157098D+01 -0.140682D+01 -0.416375D+00
               271           272           273           274           275 
      1  -0.146411D+01  0.102610D+01  0.247318D+00  0.146576D+00 -0.117723D+01
      2   0.100776D+01 -0.301271D+00 -0.379591D+01 -0.129066D+01 -0.157524D+01
      3  -0.124537D+01  0.238955D+00  0.797513D+00  0.108621D+01 -0.765909D+00
               276           277           278           279           280 
      1   0.701652D+00 -0.105820D+00  0.315660D+01 -0.402409D+01 -0.188634D+00
      2   0.887873D+00  0.933940D+00  0.130156D+01 -0.152451D+02  0.396994D+01
      3   0.147198D+01 -0.665392D+00  0.253225D+01 -0.162437D+01  0.589335D+01
               281           282           283           284           285 
      1  -0.601765D+01  0.849711D+00 -0.196319D+01 -0.500042D+01 -0.167681D+01
      2   0.324098D+01 -0.262484D+00  0.291056D+01  0.324847D+01 -0.922043D+00
      3   0.569019D+01 -0.191179D+01  0.592023D+01  0.639060D+01 -0.945776D+00
               286           287           288           289           290 
      1  -0.160209D+00 -0.388338D+01  0.295345D+00  0.113002D+01  0.161102D+01
      2  -0.182042D+00  0.403927D+00  0.484199D+00  0.149615D+01  0.578885D-01
      3   0.122215D+01  0.176252D+01  0.412779D+00  0.948556D+00 -0.111787D+01
               291           292           293           294           295 
      1  -0.129443D+01  0.719297D+00 -0.936695D+00  0.363129D+01 -0.756127D+00
      2  -0.838244D+00 -0.949576D+00  0.121211D+01  0.134808D+00 -0.326884D+01
      3  -0.136037D+01 -0.269285D+00  0.108125D+01 -0.978621D+00 -0.260013D+01
               296           297           298           299           300 
      1  -0.105899D+01  0.145858D+02 -0.115606D+01 -0.385158D+01 -0.127984D+01
      2  -0.458405D+00  0.597665D+01  0.231849D+01 -0.121150D+01  0.627013D+00
      3   0.320180D+00  0.164618D+01 -0.186574D+01  0.380012D+01  0.143461D+01
               301           302           303           304           305 
      1  -0.264613D-01  0.871029D+01 -0.750628D+00 -0.138086D+01 -0.344343D+01
      2  -0.245556D+01  0.241166D+01  0.136043D+01  0.198733D+00  0.112127D+01
      3   0.405176D+01 -0.104495D+02 -0.163314D+01 -0.414318D+00  0.205012D+01
               306           307           308           309           310 
      1  -0.982041D-01  0.674054D+00  0.172813D+01  0.205818D+01  0.129835D+01
      2   0.560319D+00  0.166234D+01 -0.103474D+01 -0.174864D+01  0.248330D+00
      3  -0.400946D+00 -0.145246D+01 -0.950863D+00  0.884401D+00 -0.103116D+00
               311           312           313           314           315 
      1   0.132640D+00  0.272717D+01 -0.815727D+00 -0.486206D+00 -0.111916D+02
      2   0.916362D+00 -0.945423D+00 -0.275215D+01  0.200846D+01  0.111079D+02
      3  -0.531898D+00 -0.140500D+01  0.252181D+01 -0.695968D+00 -0.162055D+01
               316           317           318           319           320 
      1   0.791383D+00 -0.201003D+01  0.405963D+00 -0.427680D+01  0.799655D+01
      2  -0.410479D-01 -0.127003D+01  0.196033D+01 -0.457328D+01  0.934235D+00
      3   0.116465D+01 -0.328114D+01  0.179104D+00 -0.302940D+01  0.110248D+02
               321           322           323           324           325 
      1   0.585738D+00  0.203682D+01 -0.103940D+01  0.252406D+00  0.218977D+01
      2  -0.424806D+00  0.260271D+01 -0.174207D+01 -0.506215D+00  0.431397D+00
      3   0.217874D+01  0.932385D+00 -0.189574D+01  0.380982D+00  0.166218D+01
               326           327           328           329           330 
      1   0.347063D+00 -0.143851D+01 -0.929329D-01  0.753249D-01  0.920715D+00
      2  -0.110301D+01 -0.358249D+01  0.167597D+00 -0.190622D+01  0.296904D+00
      3  -0.132079D+00 -0.166248D+00  0.699453D+00  0.373837D+00  0.165984D+01
               331           332           333 
      1   0.134300D+01  0.206533D+01 -0.212173D+01
      2  -0.166514D+00 -0.253652D+01 -0.156258D+02
      3   0.157883D+01  0.209246D+01  0.162749D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.675636D+01 -0.138481D+02  0.754010D+01 -0.965984D+01  0.252874D+02
      2   0.112492D+02  0.247410D+02 -0.825692D+01  0.181768D+02 -0.368222D+02
      3  -0.449287D+01 -0.108929D+02  0.716822D+00 -0.851695D+01  0.115348D+02
      4  -0.953468D+01  0.643311D+01  0.123048D+02  0.652501D+01  0.130196D+02
      5   0.789139D+01  0.165256D+00 -0.758491D+01 -0.300255D+01 -0.312847D+01
      6   0.136993D+02 -0.891618D+01 -0.553291D+01 -0.401893D+01  0.233472D+02
                 6             7             8             9            10 
      1  -0.122267D+02  0.585027D+01 -0.920535D+01 -0.139691D+01  0.113953D+02
      2   0.228530D+02 -0.586171D+01  0.179138D+02 -0.219086D+01 -0.160937D+02
      3  -0.106263D+02  0.114439D-01 -0.870849D+01  0.358777D+01  0.469841D+01
      4  -0.185629D+00  0.104380D+02 -0.148829D+01 -0.395848D+01  0.159121D+01
      5  -0.841963D+00 -0.629754D+01 -0.747325D-01  0.369740D+00 -0.800366D+00
      6  -0.590689D+01 -0.366649D+01 -0.658975D+01 -0.523465D+01 -0.209582D+02
                11            12            13            14            15 
      1   0.109166D+02 -0.561971D+00  0.836292D+01 -0.182785D+01  0.780863D+01
      2  -0.245983D+02 -0.417103D+01 -0.196892D+02 -0.408093D+00 -0.173665D+02
      3   0.136817D+02  0.473300D+01  0.113263D+02  0.223595D+01  0.955786D+01
      4  -0.226434D+02 -0.179770D+02 -0.187517D+02 -0.195380D+02 -0.610530D+01
      5  -0.812767D+01 -0.507197D+01 -0.331616D+01 -0.898990D+01  0.528831D+00
      6  -0.789934D+01  0.520916D+01 -0.459838D+01 -0.151299D+02 -0.827800D+01
                16            17            18            19            20 
      1  -0.132985D+01  0.509740D+01  0.137162D+01 -0.162142D+02 -0.421520D+01
      2  -0.211248D+01 -0.131564D+02 -0.502240D+01  0.105938D+02  0.665390D+01
      3   0.344234D+01  0.805898D+01  0.365078D+01  0.562046D+01 -0.243869D+01
      4  -0.148767D+02 -0.562204D+01  0.240746D+01 -0.689233D+01  0.535029D+01
      5  -0.505478D+01 -0.698331D+00  0.229496D+01 -0.378866D+01  0.246103D+01
      6   0.289819D+01 -0.802149D+01  0.445769D+01  0.462643D+01  0.264341D+01
                21            22            23            24            25 
      1  -0.171207D+01 -0.832742D+01 -0.876255D+01 -0.968478D+01 -0.441839D+00
      2  -0.364126D+00  0.129504D+02  0.696521D+01  0.115035D+02  0.104967D+01
      3   0.207619D+01 -0.462297D+01  0.179734D+01 -0.181876D+01 -0.607834D+00
      4   0.219266D+01  0.748161D+01  0.875634D+01  0.499471D+01  0.727498D+00
      5   0.437834D+01  0.146894D+01  0.852517D+01  0.164728D+01  0.361576D+01
      6   0.221056D+01  0.395738D+01  0.763524D+01  0.669760D+01  0.356758D-01
                26            27            28            29            30 
      1  -0.520172D+01  0.380564D+01 -0.891600D+01  0.990498D-01 -0.550322D+01
      2   0.507015D+01  0.107188D+02  0.289484D+01 -0.727037D-01  0.552517D+01
      3   0.131563D+00 -0.145244D+02  0.602116D+01 -0.263461D-01 -0.219488D-01
      4   0.360342D+01  0.343724D-01  0.559453D-01 -0.588570D+01  0.369769D+01
      5   0.481916D+00 -0.382274D+01 -0.365061D+01  0.241200D+01 -0.323684D+01
      6   0.576295D+01 -0.636109D+01  0.237832D+01  0.368901D+01 -0.223988D-01
                31            32            33            34            35 
      1   0.227493D-01  0.285746D+01  0.370275D+01 -0.781216D+01  0.537981D+01
      2   0.330777D-02 -0.891014D+01 -0.370536D+01  0.783128D+01 -0.537737D+01
      3  -0.260570D-01  0.605268D+01  0.260561D-02 -0.191274D-01 -0.243597D-02
      4  -0.602566D+01  0.666927D-01  0.553797D+01  0.540924D+01  0.774796D+01
      5   0.241351D+01  0.368556D+01  0.224065D-01  0.351670D+01 -0.279804D-01
      6   0.362938D+01 -0.246415D+01 -0.322140D+01 -0.798637D-02  0.351058D+01
                36            37            38            39            40 
      1   0.496508D+00 -0.216327D+01  0.193710D+01  0.110392D+01  0.616360D+01
      2   0.499997D+00 -0.538510D+01 -0.200609D+01 -0.371260D+01 -0.841414D+01
      3  -0.996505D+00  0.754836D+01  0.689821D-01  0.260868D+01  0.225053D+01
      4   0.689188D-02  0.112873D+02 -0.505887D+01 -0.249970D+01 -0.720821D+01
      5  -0.577211D-01 -0.418073D+01  0.257227D+01  0.332096D+01  0.396443D+01
      6  -0.824372D-03 -0.118210D+01 -0.501154D+00 -0.740477D+00  0.422888D+00
                41            42            43            44            45 
      1  -0.176497D+02  0.104309D+02  0.174847D+01  0.591589D+01  0.489305D+01
      2   0.177184D+02 -0.112881D+02 -0.117381D+01 -0.607562D+01  0.960622D+01
      3  -0.687873D-01  0.857182D+00 -0.574658D+00  0.159724D+00 -0.144993D+02
      4   0.234482D+01 -0.326539D+01 -0.513020D+00 -0.109633D+01  0.237573D+01
      5   0.380189D+01 -0.247491D+00  0.376318D+01  0.406360D+00 -0.108402D+01
      6  -0.117069D+02  0.761510D+01  0.793779D+00  0.546818D+01  0.742426D+01
                46            47            48            49            50 
      1   0.241954D+01  0.939814D+01  0.993135D+01  0.395463D+01  0.137727D+02
      2  -0.525837D+01 -0.444175D+01 -0.786066D+01 -0.106971D+01 -0.183828D+02
      3   0.283883D+01 -0.495638D+01 -0.207069D+01 -0.288493D+01  0.461016D+01
      4   0.806713D+01  0.113701D+02  0.713397D+01  0.800867D+01 -0.895565D+00
      5   0.566928D+01  0.372415D+01  0.607636D+01  0.236138D+01  0.582518D+01
      6   0.859452D+01  0.345835D+01  0.181534D+01  0.427785D+01 -0.245855D+01
                51            52            53            54            55 
      1   0.307823D+00  0.364826D+01  0.132089D+01  0.105352D+02  0.877125D+01
      2  -0.216864D+01 -0.391322D+01 -0.774825D+00  0.396253D+01 -0.766604D+01
      3   0.186082D+01  0.264956D+00 -0.546064D+00 -0.144977D+02 -0.110522D+01
      4   0.319551D+01  0.455816D+01  0.145998D+01  0.893226D+00 -0.121198D+02
      5   0.238306D+01  0.559035D+01  0.290469D+00 -0.588312D+01 -0.124805D+02
      6   0.483752D+01  0.732543D+00  0.369052D+01 -0.462872D+01 -0.907297D+01
                56            57            58            59            60 
      1  -0.111292D+02 -0.153195D+02 -0.153146D+02 -0.199328D+02 -0.148280D+01
      2   0.586132D+00  0.645265D+01  0.219460D+01  0.119972D+02 -0.444216D+01
      3   0.105431D+02  0.886688D+01  0.131200D+02  0.793559D+01  0.592496D+01
      4  -0.230287D+02 -0.668650D+01 -0.279410D+02 -0.860400D+01 -0.188370D+02
      5  -0.298756D+01 -0.882876D+01 -0.579909D+01 -0.219470D+02  0.468980D+01
      6  -0.460702D+01  0.552244D-01 -0.978324D+01 -0.532666D+01 -0.437618D+01
                61            62            63            64            65 
      1  -0.116399D+02  0.284007D+00 -0.542724D+01 -0.431787D+02  0.860057D+01
      2   0.403025D+01 -0.473093D+01  0.186293D+01  0.294351D+02 -0.249797D+01
      3   0.760965D+01  0.444692D+01  0.356431D+01  0.137436D+02 -0.610261D+01
      4  -0.578647D+01 -0.153330D+02  0.161913D+01  0.160859D+01  0.109341D+02
      5  -0.817768D+01  0.256442D+01  0.417808D+01  0.250225D+02 -0.196400D+01
      6  -0.106368D+01 -0.480363D+01  0.287179D+01  0.691452D+00 -0.463834D+01
                66            67            68            69            70 
      1   0.235589D+02  0.149451D+02  0.175450D+02 -0.815790D+01  0.190175D+02
      2  -0.129488D+02 -0.646123D+01 -0.108098D+02  0.881629D+01 -0.102852D+02
      3  -0.106101D+02 -0.848390D+01 -0.673512D+01 -0.658387D+00 -0.873233D+01
      4   0.301744D+01  0.123412D+02 -0.399595D+01  0.102637D+02  0.100106D+01
      5  -0.518494D+01 -0.721831D+01  0.110489D+02 -0.520494D+01 -0.621490D+01
      6  -0.522771D+00 -0.220934D+01  0.883657D+01 -0.834707D+01 -0.735576D-01
                71            72            73            74            75 
      1  -0.595989D+01 -0.125731D+01  0.171736D+02 -0.293169D+01 -0.967394D+01
      2   0.707744D+01 -0.238091D+01 -0.168803D+02  0.170723D+01  0.914868D+01
      3  -0.111755D+01  0.363822D+01 -0.293327D+00  0.122445D+01  0.525256D+00
      4   0.878255D+01 -0.394474D+01  0.881090D+01 -0.910308D+01 -0.554173D+01
      5  -0.364462D+01 -0.519622D+01 -0.119224D+02 -0.164426D+01  0.771070D+01
      6  -0.678108D+01 -0.278670D+00  0.132172D+01  0.471414D+01  0.324005D+00
                76            77            78            79            80 
      1   0.250617D+01 -0.879159D+01 -0.419493D+01 -0.563213D+01 -0.176734D+01
      2  -0.159160D+01  0.105030D+01  0.149935D+01  0.532274D+01  0.231577D+01
      3  -0.914573D+00  0.774129D+01  0.269559D+01  0.309384D+00 -0.548432D+00
      4  -0.570834D+01  0.858166D+01 -0.375711D+01 -0.247782D+01 -0.122384D+01
      5  -0.215817D+01 -0.910739D+00 -0.231289D+00  0.541041D+01  0.100577D+01
      6   0.324761D+01 -0.332729D+01  0.326867D+01  0.608652D+00  0.397918D+01
                81            82            83            84            85 
      1   0.899438D+01 -0.122033D+01  0.523854D+01  0.293512D+01  0.701790D+01
      2   0.553482D+01 -0.460882D+01 -0.980106D+01 -0.328816D+00 -0.938657D+01
      3  -0.145292D+02  0.582915D+01  0.456252D+01 -0.260630D+01  0.236867D+01
      4   0.287606D+01 -0.156942D+01  0.922336D+01 -0.929456D+01  0.371925D+01
      5   0.740312D+01  0.159948D+01 -0.214023D+00  0.443455D+01  0.136489D+01
      6  -0.141502D+00 -0.527920D+01  0.686452D+01 -0.167755D+01  0.706620D+01
                86            87            88            89            90 
      1   0.649995D+01  0.127986D+01 -0.551740D+00  0.301493D+00  0.896241D+01
      2  -0.803884D+01 -0.419220D+00  0.104906D+00 -0.816964D+00  0.557904D+01
      3   0.153889D+01 -0.860638D+00  0.446835D+00  0.515471D+00 -0.145414D+02
      4  -0.178013D+02  0.730846D+01 -0.492322D+01  0.396138D+01 -0.299337D+01
      5   0.666049D+01 -0.222241D+01  0.500279D+01 -0.810575D+00 -0.359373D+01
      6  -0.498519D+01  0.658429D+01 -0.127359D+01  0.438686D+01  0.651824D+01
                91            92            93            94            95 
      1   0.651706D+01 -0.132981D+02 -0.111304D+02 -0.136179D+02 -0.703287D+00
      2   0.159203D+01  0.172590D+02  0.531023D+01  0.200572D+02 -0.143044D+02
      3  -0.810910D+01 -0.396095D+01  0.582017D+01 -0.643923D+01  0.150077D+02
      4  -0.114651D+02 -0.856274D+01  0.670097D+01 -0.139438D+02  0.317063D+02
      5  -0.855912D+01 -0.300945D+01 -0.998849D+01 -0.242793D+01 -0.177664D+02
      6   0.727983D+01 -0.287219D+01  0.229187D+01 -0.881825D+01  0.193114D+02
                96            97            98            99           100 
      1  -0.778374D+01 -0.862642D+01 -0.752674D+01 -0.554435D+01 -0.273217D+02
      2   0.167016D+02  0.342409D+01  0.144720D+02  0.182549D+01  0.112800D+02
      3  -0.891785D+01  0.520234D+01 -0.694525D+01  0.371886D+01  0.160417D+02
      4  -0.161894D+02  0.528488D+01 -0.119135D+02  0.149540D+01  0.299906D+02
      5  -0.235669D+01 -0.812361D+01 -0.111473D+01  0.304000D+01  0.225155D+02
      6  -0.346433D+01  0.247355D+01 -0.471863D+01 -0.450665D+01 -0.140012D+02
               101           102           103           104           105 
      1   0.188557D+02  0.197751D+02  0.149810D+02  0.975451D+01  0.586115D+01
      2  -0.154897D+02 -0.102483D+02 -0.140448D+02 -0.879136D+00 -0.105274D+02
      3  -0.336597D+01 -0.952684D+01 -0.936240D+00 -0.887537D+01  0.466622D+01
      4  -0.381749D+01 -0.133516D+02  0.919277D+00 -0.123874D+02  0.694661D+01
      5  -0.645305D+01 -0.350932D+01 -0.696569D+00  0.713434D+01  0.317550D+01
      6  -0.438973D+01 -0.152258D+01 -0.414922D+01 -0.867694D+01 -0.987972D+01
               106           107           108           109           110 
      1   0.168015D+02  0.411701D+01  0.141203D+01 -0.511055D+00 -0.951349D+01
      2  -0.923016D+01 -0.839977D+01 -0.506816D+01 -0.267541D+00  0.783339D+01
      3  -0.757133D+01  0.428277D+01  0.365613D+01  0.778596D+00  0.168011D+01
      4  -0.945925D+01  0.552630D+01  0.232950D+01 -0.197135D+02 -0.901492D+00
      5  -0.488686D+01  0.287300D+01 -0.490518D+01 -0.739782D+01  0.655666D+01
      6  -0.754886D+00 -0.792032D+01  0.245823D+01  0.543676D+01  0.288168D+01
               111           112           113           114           115 
      1  -0.244998D+01 -0.112960D+02 -0.704577D+01  0.182516D+01 -0.190548D+01
      2   0.302094D+01  0.751967D+01  0.352036D+00  0.891960D+00  0.149778D+01
      3  -0.570965D+00  0.377636D+01  0.669373D+01 -0.271712D+01  0.407700D+00
      4   0.794777D+01  0.446175D+01 -0.115428D+01 -0.837651D+01  0.412629D+01
      5   0.699156D+01  0.653685D+01 -0.363043D+01 -0.134347D+01  0.454921D+01
      6  -0.187371D+01  0.134004D+01  0.135970D+01  0.397462D+01 -0.834812D+00
               116           117           118           119           120 
      1   0.111989D+01  0.635750D+01  0.788117D+02 -0.138162D+01 -0.200810D+02
      2  -0.161000D+01  0.817830D+01 -0.452604D+02  0.181905D+01  0.137465D+02
      3   0.490108D+00 -0.145358D+02 -0.335513D+02 -0.437426D+00  0.633454D+01
      4  -0.403117D+01 -0.327380D+01  0.929989D+01  0.813507D+01 -0.211006D+01
      5  -0.131856D+01  0.702019D+01 -0.314464D+02  0.574156D+00  0.183535D+02
      6   0.471740D+01 -0.279682D+01 -0.337448D+01 -0.172052D+01  0.288476D+01
               121           122           123           124           125 
      1  -0.132702D+02  0.707286D+01  0.468274D+01 -0.166160D+02  0.109925D+01
      2   0.916884D+01 -0.380277D+01 -0.444013D+01  0.133529D+02 -0.176802D+01
      3   0.410136D+01 -0.327009D+01 -0.242609D+00  0.326307D+01  0.668774D+00
      4   0.923335D+01 -0.975312D+00 -0.433834D+01 -0.240409D+01 -0.343656D+01
      5   0.584685D+01 -0.557195D+01 -0.279741D+01  0.214883D+02  0.986253D-01
      6  -0.241558D+01 -0.833268D+00  0.265865D+01  0.298282D+01  0.269604D+01
               126           127           128           129           130 
      1   0.127450D+02  0.766356D+00  0.531839D+01 -0.712815D+01  0.476566D+01
      2  -0.105341D+02  0.359391D+00 -0.372835D+01  0.355474D+01 -0.161394D+01
      3  -0.221096D+01 -0.112575D+01 -0.159004D+01  0.357341D+01 -0.315173D+01
      4   0.195098D+01  0.205786D+01  0.765936D-01 -0.122928D+01  0.711738D+01
      5  -0.128863D+02 -0.464055D+01 -0.745261D+00  0.522417D+00 -0.343679D+01
      6  -0.150801D+01 -0.335850D+01  0.272187D+01 -0.197288D+01 -0.197728D+01
               131           132           133           134           135 
      1  -0.131571D+02  0.733531D+01 -0.628869D+01  0.531428D+01 -0.653487D+01
      2   0.179593D+02 -0.607202D+01  0.347006D+01 -0.329404D+01  0.188616D+01
      3  -0.480219D+01 -0.126330D+01  0.281863D+01 -0.202024D+01  0.464871D+01
      4   0.222056D+02 -0.102546D+02 -0.434090D+01 -0.863810D+01  0.784502D+01
      5  -0.102624D+02  0.117769D+02  0.488388D+01  0.833840D+01 -0.104014D+02
      6  -0.165860D+02  0.125492D+02  0.138231D+01  0.110139D+02 -0.107675D+02
               136           137           138           139           140 
      1   0.323869D+02  0.157899D+02  0.933851D+01  0.197519D+02  0.112317D+02
      2  -0.119863D+02 -0.302161D+01 -0.447597D+01 -0.228105D+01  0.504809D+01
      3  -0.204006D+02 -0.127683D+02 -0.486254D+01 -0.174708D+02 -0.162798D+02
      4   0.299073D+02  0.223478D+02  0.908041D+01  0.321762D+02  0.329781D+02
      5   0.174576D+02  0.903028D+01  0.124963D+02  0.129130D+02  0.143753D+02
      6   0.787017D+01  0.561348D+01  0.467279D+01  0.943924D+01  0.113059D+02
               141           142           143           144           145 
      1   0.355099D+01  0.832917D+01  0.221510D+01  0.599898D+01  0.142498D+02
      2   0.510228D+00 -0.524914D+01 -0.707632D+00 -0.381006D+01 -0.956238D+01
      3  -0.406122D+01 -0.308002D+01 -0.150747D+01 -0.218892D+01 -0.468746D+01
      4   0.140140D+02  0.972330D+01  0.103477D+02  0.107841D+02 -0.520475D+01
      5   0.103761D+02  0.160773D+02  0.101690D+02  0.113104D+02  0.117548D+02
      6   0.842335D+01  0.726417D+01  0.821184D+01  0.672148D+01 -0.895128D+00
               146           147           148           149           150 
      1  -0.612628D+01  0.809844D+01 -0.134064D+02  0.801618D+01 -0.328188D+01
      2   0.450859D+01 -0.598535D+01  0.102212D+02 -0.685100D+01  0.647478D+01
      3   0.161768D+01 -0.211308D+01  0.318527D+01 -0.116519D+01 -0.319290D+01
      4   0.757594D+01 -0.166895D+01  0.107477D+02 -0.158857D+02  0.102165D+02
      5  -0.386569D+01  0.970552D+01 -0.886011D+01  0.122452D+02 -0.139214D+02
      6   0.196965D+01 -0.195653D+00  0.408646D+01 -0.579971D+01  0.336960D+01
               151           152           153           154           155 
      1   0.938280D+01 -0.759702D+00  0.416417D+01  0.527037D+01 -0.485790D+01
      2  -0.830818D+01  0.408598D+01 -0.881762D+01  0.384113D+01 -0.495836D+01
      3  -0.107462D+01 -0.332628D+01  0.465345D+01 -0.911150D+01  0.981626D+01
      4  -0.103595D+01  0.727649D+01 -0.612655D+01 -0.164522D+02  0.187189D+02
      5   0.118891D+02 -0.772403D+01  0.148467D+02  0.736024D+01 -0.553618D+01
      6  -0.759820D+00  0.405259D+01 -0.221797D+01 -0.637509D+01  0.465072D+01
               156           157           158           159           160 
      1   0.343722D+01 -0.136726D+01 -0.135778D+02  0.595193D+01  0.162080D+01
      2  -0.511073D+00 -0.131601D+02  0.411874D+02 -0.115736D+02  0.594735D+00
      3  -0.292615D+01  0.145274D+02 -0.276096D+02  0.562163D+01 -0.221554D+01
      4  -0.622687D+01  0.268563D+02 -0.459896D+02  0.145295D+02 -0.750458D+01
      5   0.656750D+01 -0.770342D+01  0.147442D+02 -0.967237D+01  0.872006D+01
      6  -0.389477D+01  0.973544D+01 -0.236028D+02  0.144061D+02 -0.744600D+01
               161           162           163           164           165 
      1   0.528554D+01 -0.303944D+01  0.246144D+02  0.681529D+01  0.100897D+02
      2  -0.777197D+01  0.524337D+01 -0.187028D+02 -0.717851D+01 -0.944448D+01
      3   0.248644D+01 -0.220393D+01 -0.591157D+01  0.363229D+00 -0.645201D+00
      4   0.120314D+02 -0.110450D+02 -0.292627D+01  0.527535D+01 -0.199900D+01
      5  -0.103492D+02  0.774839D+01  0.165099D+02  0.313695D+01  0.138724D+02
      6   0.154509D+02 -0.104081D+02 -0.273020D+01  0.173128D+01 -0.418154D+01
               166           167           168           169           170 
      1   0.144897D+02  0.700994D+01  0.566653D+01  0.869692D+01  0.191047D+01
      2  -0.132641D+02 -0.703760D+01 -0.943627D+01 -0.909056D+01 -0.535207D+01
      3  -0.122562D+01  0.276620D-01  0.376974D+01  0.393632D+00  0.344160D+01
      4   0.289596D+01  0.414112D+01  0.490486D+01 -0.367351D+01  0.520997D+01
      5   0.859799D+01  0.820579D+01  0.972536D+01  0.136425D+02  0.367789D+01
      6   0.177928D+01 -0.190544D+00 -0.756068D+00 -0.326660D+01  0.220364D+01
               171           172           173           174           175 
      1   0.658656D+01  0.552780D+02 -0.136852D+02 -0.150426D+02 -0.383287D+01
      2  -0.111755D+02 -0.248293D+02  0.197863D+01  0.910088D+01 -0.332863D+01
      3   0.458897D+01 -0.304486D+02  0.117065D+02  0.594169D+01  0.716150D+01
      4  -0.292786D+00 -0.424289D+02  0.209068D+02  0.124853D+02  0.148432D+02
      5   0.143631D+02 -0.270480D+02  0.802190D+01  0.160184D+02  0.283740D+01
      6  -0.349918D+01  0.128779D+02 -0.550344D+01 -0.842519D+01 -0.409127D+01
               176           177           178           179           180 
      1   0.496874D+01 -0.743716D+00 -0.109016D+02  0.112192D+01  0.795087D+01
      2   0.145498D+01  0.292302D+01  0.817099D+01  0.718980D+00 -0.573470D+01
      3  -0.642372D+01 -0.217930D+01  0.273063D+01 -0.184090D+01 -0.221617D+01
      4  -0.112444D+02 -0.496276D+01  0.107593D+02 -0.596829D+01 -0.959588D+01
      5  -0.550185D+01 -0.271411D+01  0.176300D+02 -0.627505D+01 -0.112901D+02
      6   0.517211D+01  0.497759D+01 -0.915324D+01  0.652916D+01  0.629606D+01
               181           182           183           184           185 
      1  -0.511996D+01 -0.119459D+02 -0.919783D+01 -0.674276D+01 -0.198985D+02
      2   0.516234D+01  0.123383D+02  0.540038D+01  0.555825D+01  0.258769D+02
      3  -0.423760D-01 -0.392367D+00  0.379745D+01  0.118450D+01 -0.597839D+01
      4   0.157243D+01  0.641019D+00  0.331398D+01  0.470478D+01 -0.802639D+01
      5  -0.158555D+01  0.107676D+01 -0.124517D+01  0.177954D+01 -0.458048D+01
      6   0.666420D+01  0.748296D+01  0.772986D+01  0.208482D+01  0.174842D+02
               186           187           188           189           190 
      1  -0.987730D+01 -0.550272D+01 -0.864185D+01 -0.107984D+02 -0.123931D+01
      2   0.100680D+02  0.211492D+01  0.786139D+01  0.620239D+01  0.136553D+02
      3  -0.190698D+00  0.338780D+01  0.780455D+00  0.459599D+01 -0.124160D+02
      4  -0.408033D+01  0.486411D+01 -0.534020D+01 -0.256324D+01  0.247385D+02
      5  -0.612255D+01  0.233814D+01 -0.474561D+01 -0.537741D+01  0.770125D+01
      6   0.142988D+02  0.218943D+01  0.135192D+02  0.138117D+02  0.127012D+02
               191           192           193           194           195 
      1  -0.780889D+01 -0.217482D+01 -0.613637D+01 -0.211965D+02 -0.695930D+01
      2   0.241579D+02  0.556656D+01  0.178868D+02  0.454949D+02  0.123263D+02
      3  -0.163490D+02 -0.339174D+01 -0.117505D+02 -0.242984D+02 -0.536702D+01
      4   0.284069D+02  0.121212D+02  0.194410D+02  0.294828D+02  0.865266D+01
      5   0.796734D+01  0.655174D+01  0.469628D+01  0.717145D+01  0.389304D+01
      6   0.132783D+02  0.959127D+01  0.895790D+01  0.214334D+02  0.143855D+02
               196           197           198           199           200 
      1  -0.232863D+01 -0.793063D+01 -0.643894D+01 -0.378496D+01  0.760239D+01
      2   0.344109D+01  0.112108D+02  0.862115D+01  0.562253D+01 -0.111641D+02
      3  -0.111246D+01 -0.328020D+01 -0.218221D+01 -0.183757D+01  0.356175D+01
      4   0.859206D+01  0.887564D+01  0.918313D+01 -0.199731D+02  0.118470D+02
      5   0.611327D+01  0.596545D+01  0.521345D+01 -0.825728D+01  0.443389D+01
      6   0.889507D+01  0.182163D+02  0.121324D+02  0.129083D+02 -0.811879D+01
               201           202           203           204           205 
      1   0.435566D+01  0.294939D+01 -0.657410D+01 -0.474309D+01  0.309466D+01
      2  -0.147321D+01 -0.496108D+01  0.106760D+02  0.718444D+01  0.577837D-01
      3  -0.288245D+01  0.201169D+01 -0.410189D+01 -0.244135D+01 -0.315244D+01
      4   0.114706D+02  0.706969D+01 -0.546670D+01 -0.197427D+01  0.795751D+01
      5   0.529491D+01  0.167013D+01 -0.157135D+01 -0.774911D+00  0.525453D+01
      6  -0.145277D+02 -0.343221D+01  0.993320D+01  0.778897D+01 -0.854438D+01
               206           207           208           209           210 
      1  -0.728512D+01 -0.703029D+01 -0.488932D+01  0.118577D+02 -0.496196D+01
      2   0.867352D+01  0.239560D+01  0.914125D+01 -0.198832D+02  0.603837D+01
      3  -0.138840D+01  0.463469D+01 -0.425193D+01  0.802546D+01 -0.107642D+01
      4  -0.224869D+01 -0.754731D+01 -0.505860D+01  0.120707D+02 -0.565617D+01
      5  -0.160178D+01 -0.412209D+01  0.554561D+00 -0.318294D+01  0.293053D+01
      6   0.106410D+02  0.143888D+02 -0.686738D+01  0.881025D+01 -0.484198D+01
               211           212           213           214           215 
      1   0.499717D+01 -0.440813D+02  0.131734D+02 -0.257066D+01  0.132060D+02
      2  -0.841509D+01  0.766724D+02 -0.194189D+02  0.231932D+01 -0.165160D+02
      3   0.341793D+01 -0.325911D+02  0.624547D+01  0.251337D+00  0.331000D+01
      4   0.850077D+01 -0.435986D+01  0.159566D+01 -0.386694D+01  0.103772D+01
      5  -0.179172D+01  0.948100D-01  0.867830D+00  0.261729D+01  0.512339D+00
      6   0.358391D+01 -0.303940D+02  0.180885D+02 -0.238491D+01  0.215344D+02
               216           217           218           219           220 
      1  -0.106312D+02  0.123767D+02 -0.166363D+01 -0.367167D+01 -0.195817D+01
      2   0.128377D+02 -0.824604D+01  0.520221D+01  0.538924D+01  0.393478D+01
      3  -0.220648D+01 -0.413061D+01 -0.353858D+01 -0.171757D+01 -0.197661D+01
      4  -0.112905D+01  0.244054D+02  0.900148D+01 -0.115569D+02  0.180221D+01
      5   0.187628D+00 -0.150564D+02 -0.313126D+01  0.110851D+02  0.119512D+01
      6  -0.129539D+02 -0.116916D+02 -0.450741D+01  0.131617D+02 -0.123032D+01
               221           222           223           224           225 
      1  -0.875437D+00  0.324622D+01 -0.147764D+01  0.426780D+01 -0.285405D+00
      2   0.267130D+01 -0.663860D+01  0.384199D+01 -0.680279D+01 -0.434897D+01
      3  -0.179586D+01  0.339238D+01 -0.236435D+01  0.253499D+01  0.463438D+01
      4   0.294699D+01 -0.129656D+01 -0.898522D+01 -0.414807D+01  0.865723D+01
      5  -0.274508D+01 -0.596341D+00  0.964960D+01  0.200951D+01 -0.931823D+01
      6  -0.567941D+01  0.198045D+01  0.896221D+01  0.624921D+01 -0.117085D+02
               226           227           228           229           230 
      1   0.121273D+02  0.171482D+01 -0.144812D+01 -0.208229D+01  0.210749D+01
      2  -0.396227D+01 -0.719269D+01  0.339932D+00 -0.150270D+01  0.275034D+01
      3  -0.816506D+01  0.547787D+01  0.110819D+01  0.358499D+01 -0.485783D+01
      4  -0.228134D+02  0.101447D+02 -0.398408D+01  0.878033D+01 -0.663031D+01
      5   0.105447D+02 -0.447497D+01  0.430532D+01 -0.237287D+01  0.113730D+01
      6  -0.361810D+01  0.628363D+01 -0.528851D+01  0.143030D+01  0.194457D+00
               231           232           233           234           235 
      1  -0.127857D+01 -0.988037D+00 -0.344410D+01  0.133345D+01 -0.626668D+00
      2   0.134239D+01 -0.163462D+01  0.592369D+01 -0.313136D+01 -0.215595D+01
      3  -0.638124D-01  0.262265D+01 -0.247959D+01  0.179790D+01  0.278261D+01
      4   0.123216D+01  0.205916D+01 -0.489147D+00 -0.296416D+01 -0.116853D+01
      5  -0.121969D+01  0.212754D+01 -0.522474D+00  0.171820D+01  0.153437D+01
      6   0.107902D+01 -0.249405D+01 -0.732778D+00 -0.364841D+00 -0.238982D+01
               236           237           238           239           240 
      1  -0.281603D+01  0.184911D+01 -0.166744D+01  0.107947D+01 -0.145811D+01
      2   0.277884D+01 -0.717509D+00  0.102043D+01 -0.386009D+01 -0.302535D+01
      3   0.371838D-01 -0.113160D+01  0.647014D+00  0.278062D+01  0.448346D+01
      4   0.233639D+01 -0.294073D+01  0.343268D+00 -0.772307D-01  0.248087D-01
      5  -0.904117D+00  0.490454D+01 -0.161412D+00 -0.116208D+01  0.106404D+01
      6  -0.117039D+01  0.983025D+00 -0.872853D+00  0.597344D+00  0.117228D+01
               241           242           243           244           245 
      1  -0.881388D+00  0.592117D+01 -0.162741D+02  0.284234D+02 -0.215948D+01
      2  -0.309809D+01 -0.382801D+01 -0.185613D+02 -0.175308D+02  0.512429D+01
      3   0.397948D+01 -0.209316D+01  0.348354D+02 -0.108927D+02 -0.296482D+01
      4  -0.372735D+01  0.278772D+00 -0.320162D+01  0.153749D+02  0.596574D+01
      5   0.432532D+01 -0.884801D+00  0.549651D+01  0.128951D+02  0.158587D+01
      6  -0.330222D+01  0.718678D+01 -0.222410D+02  0.893160D+00  0.345606D+01
               246           247           248           249           250 
      1   0.216391D+01 -0.685472D+00  0.438629D+01  0.100664D+01 -0.165717D+01
      2  -0.321824D+01  0.179131D+01 -0.225867D+01 -0.641205D+00 -0.170154D+01
      3   0.105434D+01 -0.110584D+01 -0.212763D+01 -0.365431D+00  0.335872D+01
      4   0.315233D+01  0.165962D+01 -0.119191D-02 -0.136026D+01 -0.292981D+01
      5   0.612284D+01 -0.219839D+01 -0.792455D+00 -0.868207D+00  0.279971D+01
      6   0.318719D+01 -0.219078D+00 -0.220084D+01 -0.746279D+00  0.104228D+01
               251           252           253           254           255 
      1   0.257374D+01  0.279323D+01  0.186856D+01  0.303178D+01  0.393379D+01
      2  -0.385498D+01 -0.457892D+01 -0.440354D+01 -0.309417D+01 -0.117508D+01
      3   0.128124D+01  0.178569D+01  0.253497D+01  0.623945D-01 -0.275871D+01
      4  -0.270277D+01  0.528761D+00 -0.376076D+00 -0.869494D+00  0.129384D+01
      5  -0.920767D+00  0.173008D+01  0.186655D+01 -0.930467D+00  0.363004D+01
      6  -0.136745D+01 -0.328793D+00  0.545871D+00 -0.169141D+01 -0.200230D+01
               256           257           258           259           260 
      1   0.916013D+00 -0.147521D+01  0.218350D+00 -0.319324D+00 -0.451065D+01
      2  -0.367941D+00 -0.155109D+01  0.348320D+01 -0.416663D+01  0.410841D+01
      3  -0.548072D+00  0.302630D+01 -0.370154D+01  0.448595D+01  0.402245D+00
      4  -0.126404D+01 -0.103199D+01  0.770296D-01  0.309960D+01  0.265286D+01
      5  -0.150871D+01 -0.837007D+00 -0.209070D+01  0.622881D+01  0.127396D+01
      6  -0.114524D+01  0.955641D+00  0.244562D+01  0.369347D+01  0.527688D+01
               261           262           263           264           265 
      1  -0.143402D+02  0.211968D+02  0.844851D+01 -0.202375D+01  0.129087D+02
      2  -0.204971D+02 -0.115881D+02 -0.569492D+01  0.263086D+01 -0.827492D+01
      3   0.348373D+02 -0.960862D+01 -0.275358D+01 -0.607112D+00 -0.463383D+01
      4   0.144764D+01  0.939856D+01  0.979277D+01 -0.212384D+01  0.641761D+01
      5   0.136065D+02 -0.681639D+01 -0.335411D+01  0.471678D+01 -0.858965D+01
      6   0.184124D+02 -0.354021D+01 -0.351057D+01  0.980222D+00 -0.293507D+01
               266           267           268           269           270 
      1   0.704186D+01 -0.269983D+01  0.506905D+01  0.809130D+00  0.557423D+00
      2  -0.365947D+01  0.363201D+01 -0.161520D+01  0.236259D+00 -0.237332D+01
      3  -0.338239D+01 -0.932174D+00 -0.345384D+01 -0.104539D+01  0.181589D+01
      4   0.120474D+02 -0.214506D+00 -0.291671D+01  0.253188D+01  0.342277D+01
      5  -0.207790D+01  0.504563D+01  0.130930D+01  0.297904D+01 -0.120574D+01
      6  -0.486993D+01  0.687809D+00  0.100717D+01  0.117745D+00 -0.130868D+01
               271           272           273           274           275 
      1  -0.184475D+01  0.572543D+00 -0.353668D+01  0.127357D+01 -0.146139D+01
      2  -0.630460D+00 -0.108065D+00 -0.911713D+00 -0.140002D+01 -0.161887D+01
      3   0.247521D+01 -0.464478D+00  0.444840D+01  0.126456D+00  0.308026D+01
      4   0.406352D+01 -0.272674D+00 -0.718662D+00  0.197345D+01 -0.669958D+00
      5   0.655713D+00 -0.133309D+01  0.122006D+01 -0.144235D+01 -0.240310D+01
      6  -0.340653D+00 -0.463989D+00  0.106290D+01 -0.125759D+01  0.923124D+00
               276           277           278           279           280 
      1  -0.821879D+00 -0.175383D+01  0.214642D+00 -0.152318D+02 -0.436237D+01
      2   0.206213D+01  0.554932D+01  0.217481D+01 -0.196152D+02  0.692197D+01
      3  -0.124025D+01 -0.379549D+01 -0.238945D+01  0.348470D+02 -0.255961D+01
      4  -0.257271D+01  0.212301D+01 -0.448356D+01  0.258685D+01  0.869947D+01
      5   0.112977D+01  0.827708D+01  0.101041D+01 -0.219990D+02 -0.389912D+01
      6   0.487392D+01 -0.139913D+01  0.323108D+01  0.636813D+01 -0.106663D+01
               281           282           283           284           285 
      1  -0.839764D+01  0.309624D+01 -0.683798D+01 -0.155858D+02  0.350258D+01
      2   0.121624D+02 -0.227189D+01  0.867057D+01  0.260610D+02 -0.277282D+01
      3  -0.376474D+01 -0.824352D+00 -0.183260D+01 -0.104752D+02 -0.729765D+00
      4   0.392404D+01  0.846596D+00  0.815720D+01  0.639404D+01 -0.135329D+01
      5  -0.193071D+01 -0.505630D-01 -0.321495D+01 -0.328477D+01  0.361330D+00
      6  -0.809635D+01  0.440850D+01 -0.298643D+01 -0.870405D+01  0.539174D+01
               286           287           288           289           290 
      1  -0.366836D+00 -0.830490D+00 -0.319425D+01 -0.121191D+01 -0.181426D+01
      2   0.950411D+00  0.440426D+01  0.140165D+01 -0.190322D+01  0.159820D+01
      3  -0.583575D+00 -0.357377D+01  0.179260D+01  0.311513D+01  0.216063D+00
      4   0.287526D+01 -0.332210D+01  0.292439D+01 -0.729342D+00  0.924751D+00
      5  -0.398839D+00  0.778563D+00 -0.114284D+01  0.135647D+01 -0.823479D+00
      6   0.274490D+01  0.178115D+01 -0.132632D+01 -0.183363D+01 -0.192965D+01
               291           292           293           294           295 
      1   0.277582D+01  0.414482D-01 -0.194336D+01 -0.400200D+00  0.265675D+01
      2  -0.935894D+00  0.345398D+00 -0.502548D+00 -0.381511D+01 -0.742688D+00
      3  -0.183993D+01 -0.386846D+00  0.244591D+01  0.421532D+01 -0.191406D+01
      4  -0.205064D+01 -0.982127D+00  0.415574D+01 -0.631008D+00 -0.444479D+01
      5   0.451717D+01 -0.599485D-01 -0.568327D+00  0.148648D+01  0.335593D+01
      6   0.159318D+01 -0.170303D+01  0.159568D+00  0.158095D+01  0.392016D+00
               296           297           298           299           300 
      1   0.528968D+01 -0.202284D+02 -0.308378D+01  0.361165D+01  0.251267D+00
      2  -0.118715D+01 -0.145944D+02  0.481045D+01 -0.371021D+01  0.238047D+00
      3  -0.410253D+01  0.348228D+02 -0.172667D+01  0.985631D-01 -0.489315D+00
      4   0.243081D+01  0.194707D+01 -0.185164D+01  0.522203D+00 -0.179711D+01
      5  -0.204515D+01  0.913227D+01 -0.249892D+01 -0.144208D+00 -0.924589D+00
      6   0.816714D+01 -0.210241D+02 -0.795296D+00 -0.401506D+01 -0.178540D+01
               301           302           303           304           305 
      1   0.582030D+01 -0.197994D+02 -0.395902D+01 -0.287516D+01 -0.135079D+01
      2  -0.403130D+01  0.310476D+02  0.297219D+01  0.203909D+01 -0.214038D+01
      3  -0.178900D+01 -0.112482D+02  0.986836D+00  0.836067D+00  0.349117D+01
      4   0.529455D+01  0.987865D+01  0.213495D+01 -0.304650D+01 -0.327020D+01
      5   0.300663D+01 -0.377098D+00  0.226427D+01 -0.130952D+01  0.500756D+00
      6   0.207665D+00  0.126876D+02  0.631604D+01 -0.146536D+01  0.272722D+01
               306           307           308           309           310 
      1  -0.459084D+01 -0.944886D+00  0.409434D+00  0.356633D+01 -0.233481D+01
      2   0.278351D+01 -0.212196D+01  0.624114D-01 -0.257316D+00  0.220562D+01
      3   0.180732D+01  0.306684D+01 -0.471845D+00 -0.330902D+01  0.129193D+00
      4  -0.444416D+00 -0.611041D+00 -0.130329D+01  0.414173D+00 -0.155469D+01
      5  -0.538318D+00  0.136846D+01 -0.791866D+00  0.299992D+01 -0.141395D+01
      6   0.168713D+01 -0.305022D+00 -0.193017D+01 -0.216366D+01 -0.143595D+01
               311           312           313           314           315 
      1  -0.449785D+01 -0.944477D+00  0.388180D+01 -0.440219D+01 -0.207567D+02
      2   0.201729D+01  0.418917D+01 -0.370043D+01 -0.682363D-01 -0.140844D+02
      3   0.248056D+01 -0.324469D+01 -0.181363D+00  0.447043D+01  0.348411D+02
      4  -0.156103D+01  0.658206D+00  0.331879D+01  0.295804D+01  0.593707D+00
      5  -0.899605D-02 -0.209929D+01  0.465688D+01  0.347767D+01  0.165011D+02
      6   0.150536D+01  0.307206D+01  0.107174D+01  0.683843D+01  0.158433D+02
               316           317           318           319           320 
      1   0.617905D+01 -0.322823D+01  0.796462D+00 -0.911379D+01  0.521879D+00
      2  -0.933485D-01 -0.636529D+00 -0.582126D+00  0.335927D+01  0.641140D+01
      3  -0.608570D+01  0.386476D+01 -0.214336D+00  0.575452D+01 -0.693328D+01
      4  -0.884755D+01  0.105668D+02  0.200031D+01  0.106666D+02 -0.215702D+02
      5  -0.115999D+01  0.221765D+01  0.198055D+01  0.729989D+01 -0.377472D+01
      6   0.205532D+01 -0.321246D+01 -0.153617D+01 -0.464436D+01  0.908774D+01
               321           322           323           324           325 
      1   0.144776D+01  0.610214D+01 -0.137681D+01 -0.228647D+01 -0.409481D+01
      2  -0.252960D+01 -0.329591D+01 -0.908781D+00  0.482243D+00  0.140653D+01
      3   0.108184D+01 -0.280623D+01  0.228559D+01  0.180423D+01  0.268828D+01
      4  -0.336744D+01  0.475079D+00  0.202749D+01 -0.344451D+01 -0.119513D+01
      5  -0.557887D+01 -0.288916D+00 -0.279798D+01 -0.585781D+00  0.926790D+00
      6   0.339220D+01 -0.839020D+00  0.167374D+01  0.165570D+01 -0.869155D+00
               326           327           328           329           330 
      1   0.600247D+00 -0.298507D+01  0.178492D+01 -0.147394D+01 -0.299454D+00
      2  -0.123196D+01 -0.160921D+01 -0.180876D+01 -0.139892D+01  0.845197D+00
      3   0.631714D+00  0.459428D+01  0.238392D-01  0.287285D+01 -0.545743D+00
      4   0.691769D+00  0.237652D+00  0.299810D+01 -0.841426D+00 -0.316928D+01
      5  -0.389325D+00  0.966975D+00 -0.579726D+00 -0.276292D+01  0.466525D+00
      6  -0.555114D+00  0.546519D+00 -0.132715D+01  0.100492D+01  0.510929D+01
               331           332           333 
      1  -0.342999D+01 -0.257074D+01 -0.177040D+02
      2   0.601914D+01 -0.110439D+01 -0.171356D+02
      3  -0.258915D+01  0.367513D+01  0.348396D+02
      4  -0.479447D+00 -0.398448D+01 -0.338457D+01
      5   0.767606D+01 -0.285899D+01 -0.227547D+02
      6  -0.442082D+00  0.383783D+01  0.255711D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.883090D-03      0.224459D-02      0.748715D-02
   x          0.191352D-03      0.486369D-03      0.162235D-02
   y          0.138826D-03      0.352861D-03      0.117702D-02
   z          0.850858D-03      0.216267D-02      0.721388D-02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139420D+03      0.206599D+02      0.229872D+02
   aniso      0.253547D+02      0.375717D+01      0.418042D+01
   xx         0.147873D+03      0.219125D+02      0.243810D+02
   yx        -0.236901D-02     -0.351051D-03     -0.390597D-03
   yy         0.147870D+03      0.219120D+02      0.243804D+02
   zx        -0.100961D-03     -0.149609D-04     -0.166462D-04
   zy        -0.253378D-02     -0.375468D-03     -0.417764D-03
   zz         0.122517D+03      0.181551D+02      0.202003D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.143181D+03      0.212172D+02      0.236073D+02
   aniso      0.256970D+02      0.380790D+01      0.423686D+01
   xx         0.151756D+03      0.224880D+02      0.250212D+02
   yx        -0.183030D-02     -0.271222D-03     -0.301775D-03
   yy         0.151737D+03      0.224851D+02      0.250180D+02
   zx        -0.436249D-02     -0.646455D-03     -0.719278D-03
   zy        -0.152005D-02     -0.225247D-03     -0.250622D-03
   zz         0.126050D+03      0.186786D+02      0.207828D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.09586463         -5.50308848          0.32546661
     6         -0.79171345         -4.98889569         -2.46362738
     7         -1.47225398         -2.26963737         -2.95700418
    45          0.00013473          0.00009100          0.00017656
     7          0.42052229         -3.57325612          1.76689302
     7          1.82412374          1.95513621          2.98545080
     6          4.63501141          1.56408176          2.76805307
     6          5.35516074          1.70635312          0.01176668
     7          3.73937362         -0.13536852         -1.43689464
     7         -0.85445332          3.43191145         -1.88646038
     6         -3.64246209          3.95121761         -1.64562970
     6         -4.46100190          3.26979527          1.00041610
     7         -3.65718806          0.59124841          1.52988273
     1          7.35262507          1.27980299         -0.26190660
     1          5.01470516          3.58689163         -0.75884133
     1          5.64494176          2.97607793          3.87845868
     1          5.07911941         -0.28254537          3.56732240
     1         -4.04420657          5.92811316         -2.06661185
     1         -4.62154706          2.80932632         -3.05403169
     1         -6.49989077          3.46622884          1.22626436
     1         -3.56489235          4.48636463          2.40153000
     1         -1.97912045         -6.24237594         -3.58859664
     1          1.15615112         -5.27297299         -3.07305004
     1         -0.47629337         -7.40878345          0.80626716
     1         -3.06320060         -5.32744340          0.91293807
     1          2.25914378         -4.14875835          1.81670697
     1         -0.13680707         -3.60173339          3.61144617
     1         -3.38958046         -2.13120444         -3.09399889
     1         -0.83348953         -1.78074671         -4.70815721
     1         -4.96471876         -0.60433466          0.77155817
     1         -3.76900490          0.27654896          3.42780692
     1          0.11459015          4.92682632         -1.15136422
     1         -0.38472376          3.43288452         -3.75542533
     1          1.46192031          3.84757382          2.94426095
     1          1.25716700          1.40034455          4.74171999
     1          4.51698612         -1.89162280         -1.27849529
     1          3.86841282          0.27442683         -3.31549055

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.883090D-03      0.224459D-02      0.748715D-02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.883090D-03      0.224459D-02      0.748715D-02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139420D+03      0.206599D+02      0.229872D+02
   aniso      0.253547D+02      0.375717D+01      0.418042D+01
   xx         0.146683D+03      0.217361D+02      0.241847D+02
   yx        -0.865415D+00     -0.128241D+00     -0.142688D+00
   yy         0.147244D+03      0.218193D+02      0.242773D+02
   zx         0.529349D+01      0.784414D+00      0.872778D+00
   zy         0.383730D+01      0.568629D+00      0.632685D+00
   zz         0.124333D+03      0.184242D+02      0.204997D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.143181D+03      0.212172D+02      0.236073D+02
   aniso      0.256970D+02      0.380790D+01      0.423686D+01
   xx         0.150551D+03      0.223094D+02      0.248225D+02
   yx        -0.876130D+00     -0.129829D+00     -0.144454D+00
   yy         0.151102D+03      0.223911D+02      0.249134D+02
   zx         0.536293D+01      0.794704D+00      0.884227D+00
   zy         0.388911D+01      0.576307D+00      0.641228D+00
   zz         0.127889D+03      0.189512D+02      0.210860D+02

 ----------------------------------------------------------------------
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 TIME GOES, YOU SAY?  AH NO!
 ALAS, TIME STAYS, WE GO.
    -- A. DOBSON (1840-1921)
 Job cpu time:       2 days 13 hours 37 minutes 13.0 seconds.
 Elapsed time:       0 days  3 hours 51 minutes 20.9 seconds.
 File lengths (MBytes):  RWF=    791 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul  9 04:19:00 2021.
